SCHEMBL4628244

SCHEMBL4628244

O=S(=O)([N][S])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.50
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
PLA2G7 Q13093 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46

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
SCHEMBL377381 0.79 HTR6 (0.50) HTR6ALDH1A1KDM4EMAPTLMNA
SCHEMBL544207 0.78 HTR6 (0.55) HTR6ALDH1A1KDM4EMAPTLMNA
SCHEMBL6172350 0.76 HTR6 (0.52) HTR6ALDH1A1KDM4EMAPTLMNA
SCHEMBL3520533 0.76 CA1 (0.55) HTR6ALDH1A1KDM4EMAPTLMNA
SCHEMBL7292002 0.74 HTR6 (0.50) HTR6ALDH1A1KDM4EMAPTLMNA
SCHEMBL17808674 0.74 HTR6 (0.50) HTR6ALDH1A1KDM4EMAPTLMNA
SCHEMBL2687422 0.74 ALDH1A1 (0.52) HTR6ALDH1A1KDM4EMAPTLMNA
SCHEMBL2134610 0.74 HTR6 (0.50) HTR6ALDH1A1KDM4EMAPTLMNA
SCHEMBL9398028 0.74 TSHR (0.52) HTR6ALDH1A1KDM4EMAPTLMNA
SCHEMBL6717470 0.74 HTR6 (0.50) HTR6ALDH1A1KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590333-A4 GLYCOGEN SYNTHASE KINASE 3BETA INHIBITOR, COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CRYSTALGENOMICS INC (KR) 2008-04-30 EP claimed
US-7179832-B2 Glycogen synthase kinase 3β inhibitor, composition and process for the preparation thereof CRYSTALGENOMICS, INC. (KR) 2007-02-20 US claimed
US-20060079521-A1 Glycogen synthase kinase 3beta inhibitor, composition and process for the preparation thereof CRYSTALGENOMICS, INC. (KR) 2006-04-13 US claimed
EP-1590333-A1 GLYCOGEN SYNTHASE KINASE 3BETA INHIBITOR, COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF Crystalgenomics, Inc. (KR) 2005-11-02 EP claimed
WO-2004065370-A1 GLYCOGEN SYNTHASE KINASE 3BETA INHIBITOR, COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CRYSTALGENOMICS, INC. (KR) 2004-08-05 WO claimed
EP-1023295-A4 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO INC (US) 2001-01-24 EP claimed
EP-1061934-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-12-27 EP claimed
EP-1023295-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS Merck & Co., Inc. (US) 2000-08-02 EP claimed
US-5981584-A USEFUL IN THE MANUFACTURE OF A MEDICAMENT FOR INHIBITING THE AGGREGATION OF BLOOD PLATELETS, INHIBITING ANGIOGENESIS, INHIBITING OSTEOCLAST MEDIATED BONE RESORPTION, PREVENTING PLATELET THROMBOSIS MERCK & CO., INC. (US) 1999-11-09 US claimed
WO-1999045939-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-09-16 WO claimed
WO-1998034935-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-08-13 WO claimed
EP-1590333-A4 GLYCOGEN SYNTHASE KINASE 3BETA INHIBITOR, COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CRYSTALGENOMICS INC (KR) 2008-04-30 EP disclosed
US-7179832-B2 Glycogen synthase kinase 3β inhibitor, composition and process for the preparation thereof CRYSTALGENOMICS, INC. (KR) 2007-02-20 US disclosed
US-20060079521-A1 Glycogen synthase kinase 3beta inhibitor, composition and process for the preparation thereof CRYSTALGENOMICS, INC. (KR) 2006-04-13 US disclosed
EP-1590333-A1 GLYCOGEN SYNTHASE KINASE 3BETA INHIBITOR, COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF Crystalgenomics, Inc. (KR) 2005-11-02 EP disclosed
US-6117842-A INHIBITION OF BINDING OF FIBRINOGEN AND OTHER PROTEINS TO BLOOD PLATELETS, AND INHIBITING AGGREGATION OF BLOOD PLATELETS; MERCK & CO., INC. (US) 2000-09-12 US disclosed
EP-1023295-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS Merck & Co., Inc. (US) 2000-08-02 EP disclosed
US-5981584-A USEFUL IN THE MANUFACTURE OF A MEDICAMENT FOR INHIBITING THE AGGREGATION OF BLOOD PLATELETS, INHIBITING ANGIOGENESIS, INHIBITING OSTEOCLAST MEDIATED BONE RESORPTION, PREVENTING PLATELET THROMBOSIS MERCK & CO., INC. (US) 1999-11-09 US disclosed
WO-1999045939-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-09-16 WO disclosed
WO-1998034935-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-08-13 WO 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 (1 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-20060079521-A1 Glycogen synthase kinase 3beta inhibitor, composition and process for the preparation thereof GSK3B, GSK3A, GYS2 HTR6 4039/4885ALDH1A1 3930/4885KDM4E 1298/4885

“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.