SCHEMBL1902159

SCHEMBL1902159

O=C(Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c1)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c1

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 6/20 0.71
KMT2A Q03164 6/20 0.71
HSD17B10 Q99714 6/20 0.71
TDP1 Q9NUW8 6/20 0.71
MAPT P10636 5/20 0.71
PKM P14618 5/20 0.71
P2RX1 P51575 5/20 0.71
APEX1 P27695 5/20 0.71
MEN1 O00255 4/20 0.71
LMNA P02545 4/20 0.71
POLB P06746 4/20 0.71
CYP3A4 P08684 4/20 0.71
NFKB1 P19838 4/20 0.71
BLM P54132 4/20 0.71
CYP1A2 P05177 3/20 0.71
BRCA1 P38398 3/20 0.71
STAT1 P42224 3/20 0.71
STAT5A P42229 3/20 0.71
STAT5B P51692 3/20 0.71

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
SCHEMBL12410284 0.93 TIMP3 (0.86) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL21645072 0.92 RECQL (0.86) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL12410283 0.87 TIMP3 (0.75) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL16921052 0.87 TIMP3 (0.75) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL12903191 0.85 TIMP3 (0.72) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL14506109 0.82 TIMP3 (0.67) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL14015896 0.82 TIMP3 (0.67) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11596825 0.80 TIMP3 (0.67) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11595757 0.80 TIMP3 (0.67) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL27141426 0.79 TIMP3 (0.65) 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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-11123285-B2 Auris formulations for treating OTIC diseases and conditions OTONOMY, INC. (US) 2021-09-21 US disclosed
US-11123286-B2 Auris formulations for treating otic diseases and conditions OTONOMY, INC. (US) 2021-09-21 US disclosed
US-20210138069-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF DOMPÉ FARMACEUTICI S.P.A. (IT) 2021-05-13 US disclosed
US-20200397907-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF OTONOMY, INC. 2020-12-24 US disclosed
US-10821185-B2 Triglyceride otic formulations and uses thereof OTONOMY INC. (US) 2020-11-03 US disclosed
US-20200230051-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTONOMY, INC. 2020-07-23 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
EP-2049127-A2 N-METHANOCARBA DERIVATIVES TO TREAT CARDIAC DISEASES University of Connecticut (US) 2009-04-22 EP disclosed
WO-2007139775-A2 N-METHANOCARBA DERIVATIVES TO TREAT CARDIAC DISEASES UNIVERSITY OF CONNECTICUT (US) 2007-12-06 WO disclosed
US-20070281908-A1 COMPOSITION AND METHODS TO TREAT CARDIAC DISEASES UNIVERSITY OF CONNECTICUT (US) 2007-12-06 US 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-20070099863-A1 Compounds for the treatment of demyelinating and autoimmune diseases UNIVERSIDAD DEL PAIS VASCO-EUSKAL HERRIKO (ES) 2007-05-03 US disclosed
EP-1655032-A1 COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE AND DEMYELINATING DISEASES UNIVERSIDAD DEL PAIS VASCO-EUSKAL HERRIKO UNIBERSITATEA (ES) 2006-05-10 EP 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 (12 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-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-20210138069-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF CETP, LIPA, APOB TIMP3 1503/4885RECQL 1042/4885KMT2A 3482/4885
US-20070281908-A1 COMPOSITION AND METHODS TO TREAT CARDIAC DISEASES P2RX2, P2RX3, ATP2A1 TIMP3 2113/4885RECQL 2228/4885KMT2A 3338/4885
US-20070099863-A1 Compounds for the treatment of demyelinating and autoimmune diseases P2RX2, P2RX3, P2RX1 TIMP3 3417/4885RECQL 902/4885KMT2A 3058/4885
US-11123286-B2 Auris formulations for treating otic diseases and conditions OTC, AQP4, SLC26A4 TIMP3 776/4885RECQL 1250/4885KMT2A 3984/4885
US-20200230051-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 TIMP3 776/4885RECQL 1250/4885KMT2A 3984/4885
US-10821185-B2 Triglyceride otic formulations and uses thereof CETP, LIPA, APOB TIMP3 1250/4885RECQL 1038/4885KMT2A 3688/4885
US-11123285-B2 Auris formulations for treating OTIC diseases and conditions OTC, AQP4, SLC26A4 TIMP3 776/4885RECQL 1250/4885KMT2A 3984/4885
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD TIMP3 1326/4885RECQL 3059/4885KMT2A 4047/4885
US-11918653-B2 Triglyceride otic formulations and uses thereof CETP, LIPA, APOB TIMP3 1503/4885RECQL 1042/4885KMT2A 3482/4885
US-20200397907-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF CETP, LIPA, APOB TIMP3 1250/4885RECQL 1038/4885KMT2A 3688/4885
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.