SCHEMBL4869520

SCHEMBL4869520

O=Cc1csc(NC(=O)OCc2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.49
ENPP2 Q13822 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GLS O94925 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ATM Q13315 1/20 0.44
CTRB1 P17538 2/20 0.44
MGLL Q99685 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43

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
SCHEMBL15331063 0.82 MAPK1 (0.53) MAPK1SMN1; SMN2POLBENPP2NPC1
SCHEMBL8872595 0.81 ELOVL1 (0.66) ENPP2NPC1RAB9AHDAC3HDAC4
SCHEMBL4873516 0.81 MAPK1 (0.56) MAPK1SMN1; SMN2POLBENPP2NPC1
SCHEMBL4870707 0.80 MAPT (0.51) MAPK1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10084516 0.80 SMN1; SMN2 (0.62) MAPK1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL9153870 0.80 MAPK1 (0.55) MAPK1SMN1; SMN2POLBENPP2NPC1
SCHEMBL27730232 0.80 MAPK1 (0.55) MAPK1SMN1; SMN2POLBENPP2NPC1
SCHEMBL4832627 0.80 ALDH1A1 (0.59) MAPK1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL10078938 0.79 KMT2A (0.65) MAPK1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL27523268 0.79 MAPK1 (0.54) MAPK1SMN1; SMN2POLBENPP2NPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
EP-1587800-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS Astellas Pharma Inc. (JP) 2005-10-26 EP disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 US disclosed
WO-2004067521-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-08-12 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 (5 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB MAPK1 714/4885SMN1; SMN2 3771/4885POLB 3010/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 MAPK1 142/4885SMN1; SMN2 966/4885POLB 3712/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 MAPK1 822/4885SMN1; SMN2 3587/4885POLB 3970/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 MAPK1 142/4885SMN1; SMN2 966/4885POLB 3712/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB MAPK1 139/4885SMN1; SMN2 1570/4885POLB 3832/4885

“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.