SCHEMBL3359656

SCHEMBL3359656

O=C(Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)cc2)cc1)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 6/20 1.00
RECQL P46063 5/20 0.76
KMT2A Q03164 5/20 0.76
HSD17B10 Q99714 5/20 0.76
TDP1 Q9NUW8 5/20 0.76
MEN1 O00255 3/20 0.76
ALDH1A1 P00352 3/20 0.76
USP2 O75604 2/20 0.76
F11 P03951 2/20 0.69
HPSE Q9Y251 4/20 0.68
MAPT P10636 4/20 0.68
PKM P14618 4/20 0.68
P2RX1 P51575 4/20 0.68
P2RX3 P56373 4/20 0.68
P2RY11 Q96G91 4/20 0.68
SIRT2 Q8IXJ6 3/20 0.68
SIRT1 Q96EB6 3/20 0.68
BRCA1 P38398 2/20 0.68
ENPP3 O14638 1/20 0.68
ENTPD3 O75355 1/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18136599 0.96 TIMP3 (0.93) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL16255254 0.91 P2RY11 (0.84) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL16453923 0.89 TIMP3 (0.80) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11426011 0.87 TIMP3 (0.77) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11487866 0.86 TIMP3 (0.76) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL30392305 0.86 RECQL (1.00) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL3358966 0.86 RECQL (1.00) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL375680 0.85 TIMP3 (0.75) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11435939 0.85 TIMP3 (0.74) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL10897758 0.85 TIMP3 (0.73) TIMP3RECQLKMT2AHSD17B10TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-06-15 US claimed
US-20150057331-A1 NOVEL CELLULAR TARGETS FOR HIV INFECTION ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2015-02-26 US claimed
US-20140123342-A1 Regulation of Stomatal Apertures by Apyrases and Extracellular Nucleotides BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-05-01 US claimed
US-20130150410-A1 Controlled Release Ion Channel Modulator Compositions and Methods for the Treatment of Otic Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-13 US claimed
US-8399018-B2 Controlled release ion channel modulator compositions and methods for the treatment of otic disorders OTONOMY, INC. (US) 2013-03-19 US claimed
WO-2012167023-A2 REGULATION OF STOMATAL APERTURES BY APYRASES AND EXTRACELLULAR NUCLEOTIDES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-12-06 WO claimed
US-20040029841-A1 Purinergic antagonists for treating depression MCLEAN HOSPITAL CORPORATION, THE 2004-02-12 US claimed
US-11969501-B2 Auris formulations for treating otic diseases and conditions DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-04-30 US disclosed
US-11918653-B2 Triglyceride otic formulations and uses thereof DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-03-05 US disclosed
WO-2023111938-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS GURBA, Alexandre (CH) 2023-06-22 WO disclosed
US-20220040096-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTONOMY INC (US) 2022-02-10 US disclosed
EP-2867368-B1 SIMULTANEOUS DETECTION OF CANNIBALISM AND SENESCENCE AS PROGNOSTIC MARKER FOR CANCER ROUSSY INST GUSTAVE (FR) 2022-01-12 EP disclosed
US-11123285-B2 Auris formulations for treating OTIC diseases and conditions OTONOMY, INC. (US) 2021-09-21 US disclosed
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES US ARMY, SECRETARY OF THE ARMY 2012-05-31 US disclosed
US-20110065675-A1 AZO DYE RELATED SMALL MOLECULE MODULATORS OF PROTEIN-PROTEIN INTERACTIONS UNIVERSITY OF MIAMI (US) 2011-03-17 US disclosed
US-20100015228-A1 CONTROLLED RELEASE ION CHANNEL MODULATOR COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS OTONOMY, INC. (US) 2010-01-21 US disclosed
US-20090306225-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTONOMY, INC. (US) 2009-12-10 US disclosed
WO-2009137471-A2 AZO DYE RELATED SMALL MOLECULE MODULATORS OF PROTEIN-PROTEIN INTERACTIONS UNIVERSITY OF MIAMI (US) 2009-11-12 WO disclosed
US-20070099863-A1 Compounds for the treatment of demyelinating and autoimmune diseases UNIVERSIDAD DEL PAIS VASCO-EUSKAL HERRIKO (ES) 2007-05-03 US disclosed
US-20040029841-A1 Purinergic antagonists for treating depression MCLEAN HOSPITAL CORPORATION, THE 2004-02-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110065675-A1 AZO DYE RELATED SMALL MOLECULE MODULATORS OF PROTEIN-PROTEIN INTERACTIONS CD74, CD4, CD2 TIMP3 4337/4885RECQL 1487/4885KMT2A 4711/4885
US-20130150410-A1 Controlled Release Ion Channel Modulator Compositions and Methods for the Treatment of Otic Disorders TRPV1, ATP2A1, TRPM2 TIMP3 2109/4885RECQL 479/4885KMT2A 3763/4885
US-20100015228-A1 CONTROLLED RELEASE ION CHANNEL MODULATOR COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS TRPV1, ATP2A1, TRPM2 TIMP3 2109/4885RECQL 479/4885KMT2A 3763/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 TIMP3 555/4885RECQL 644/4885KMT2A 3055/4885
US-20070099863-A1 Compounds for the treatment of demyelinating and autoimmune diseases P2RX2, P2RX3, P2RX1 TIMP3 3417/4885RECQL 902/4885KMT2A 3058/4885
US-20220040096-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 TIMP3 776/4885RECQL 1250/4885KMT2A 3984/4885
US-20090306225-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 TIMP3 776/4885RECQL 1250/4885KMT2A 3984/4885
US-11123285-B2 Auris formulations for treating OTIC diseases and conditions OTC, AQP4, SLC26A4 TIMP3 776/4885RECQL 1250/4885KMT2A 3984/4885
US-11918653-B2 Triglyceride otic formulations and uses thereof CETP, LIPA, APOB TIMP3 1503/4885RECQL 1042/4885KMT2A 3482/4885
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES HSF1, SIRT1, SIRT2 TIMP3 1422/4885RECQL 92/4885KMT2A 2312/4885
US-11969501-B2 Auris formulations for treating otic diseases and conditions OTC, AQP4, SLC26A4 TIMP3 776/4885RECQL 1250/4885KMT2A 3984/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.