SCHEMBL321300

SCHEMBL321300

CC(SSc1ccccn1)c1ccc(C(=O)NCCCCCC(=O)ON2C(=O)CC(S(=O)(=O)O)C2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC6 Q9UBN7 11/20 0.35
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 1/20 0.33
PTAFR P25105 1/20 0.32

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
SCHEMBL16491630 0.95 HDAC6 (0.35) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL900949 0.93 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL15493502 0.91 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL30031578 0.89 ALDH1A1 (0.33) SMN1; SMN2HDAC3HDAC6KMT2AALDH1A1
SCHEMBL15080491 0.89 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL346020 0.89 ALDH1A1 (0.33) SMN1; SMN2HDAC3HDAC6KMT2AALDH1A1
SCHEMBL179849 0.87 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL7572269 0.86 HTR1A (0.36) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL182506 0.84
SCHEMBL17161322 0.84 RGS12 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10953073-B2 XTEN conjugate compositions and methods of making same AMUNIX PHARMACEUTICALS, INC. (US) 2021-03-23 US claimed
WO-2015017316-A2 METHODS AND COMPOSITIONS FOR MODIFYING MUCOUS MEMBRANES ABBOTT NICHOLAS L (US) 2015-02-05 WO claimed
US-20100003701-A1 COVALENT MODIFICATION AND CONJUGATION OF LUCIFERASE CARDIOGENICS INC. (CA) 2010-01-07 US claimed
US-20070254311-A1 Covalent modification and conjugation of luciferase CARDIOGENICS INC. (CA) 2007-11-01 US claimed
EP-0942996-B1 THROMBOLYTIC AGENTS WITH ANTITHROMBOTIC ACTIVITY DIATIDE INC (US) 2007-01-03 EP claimed
US-20060127310-A1 Amplification of biotin-mediated targeting ACCESS PHARMACEUTICALS AUSTRALIA PTY LTD. 2006-06-15 US claimed
EP-0832201-B1 A SAMPLE PRESENTATION APPARATUS FOR MASS SPECTROMETRY UNIV ARIZONA (US) 2005-10-05 EP claimed
EP-1206252-A4 AMPLIFICATION OF FOLATE-MEDIATED TARGETING TO TUMOR CELLS USING POLYMERS ACCESS PHARMACEUTICALS AUSTRAL (AU) 2005-02-16 EP claimed
US-20030211127-A1 Controlled dissolution crosslinked prote in crystals ALTUS PHARMACEUTICALS INC. 2003-11-13 US claimed
US-20020137156-A1 CONTROLLED DISSOLUTION CROSSLINKED PROTEIN CRYSTALS ALTUS PHARMACEUTICALS INC. 2002-09-26 US claimed
US-6093541-A WITH METAL PRESENTATION SURFACE HAVING IMMOBILIZED COMPLEX OF TETHERING MOLECULE AND DIGESTION MOLECULE; FOR RAPID AND EFFICIENT ANALYSIS OF BIOMOLECULES USING MATRIX-ASSISTED LASER DESORPTION/IONIZATION TECHNIQUE ARIZONA STATE UNIVERSITY BOARD OF REGENTS (US) 2000-07-25 US claimed
EP-0973878-A1 CONTROLLED DISSOLUTION CROSS-LINKED PROTEIN CRYSTALS Altus Biologics Inc. (US) 2000-01-26 EP claimed
US-6004770-A MASS SPECTROMETRY SAMPLE PRESENTATION APPARATUSES DERIVATIZED WITH COMPLEXES INCLUDING AT LEAST ONE MOLECULE WHICH MODIFIES A BIOMOLECULE ARIZONA STATE UNIVERSITY BOARD OF REGENTS (US) 1999-12-21 US claimed
US-5951981-A A CROSSLINKED THROMBOLYTIC PROTEINASE, E.G. FIBROLASE FROM AGKISTRODOON CONTORTRIX CONFORTRIX VENOM, AND A BINDING PEPTIDE THAT BINDS AT THE SITE OF BLOOD CLOTS AND THROMBI; SIDE EFFECTS REDUCTION DIATIDE, INC. (US) 1999-09-14 US claimed
WO-1998046732-A1 CONTROLLED DISSOLUTION CROSS-LINKED PROTEIN CRYSTALS ALTUS BIOLOGICS INC. (US) 1998-10-22 WO claimed
WO-1997043645-A1 ANTIBODIES DIRECTED AGAINST DITHIOCARBAMATES MEDINOX, INC. (US) 1997-11-20 WO claimed
EP-0701448-A4 AMPLIFICATION OF THE VITAMIN B 12? UPTAKE SYSTEM USING POLYMERS BIOTECH AUSTRALIA PTY LTD (AU) 1997-01-02 EP claimed
EP-0701448-A1 AMPLIFICATION OF THE VITAMIN B 12? UPTAKE SYSTEM USING POLYMERS BIOTECH AUSTRALIA PTY. LIMITED (AU) 1996-03-20 EP claimed
US-5449720-A Amplification of the VB12 uptake system using polymers BIOTECH AUSTRALIA PTY LIMITED (AU) 1995-09-12 US claimed
WO-1994027641-A1 AMPLIFICATION OF THE VITAMIN B12 UPTAKE SYSTEM USING POLYMERS BIOTECH AUSTRALIA PTY. LIMITED (AU) 1994-12-08 WO claimed

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

For each of this compound's patents that has machine-readable text (2 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-10953073-B2 XTEN conjugate compositions and methods of making same XPA, TXLNA, NGLY1 SMN1; SMN2 1489/4885NPC1 4476/4885RAB9A 4326/4885
US-20060127310-A1 Amplification of biotin-mediated targeting BTD, HLCS, SLC1A5 SMN1; SMN2 4527/4885NPC1 357/4885RAB9A 3212/4885

“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.