SCHEMBL1787458

SCHEMBL1787458

Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(N3CCOCC3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
ALDH1A1 P00352 7/20 0.44
PTPN11 Q06124 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 5/20 0.41
HIF1A Q16665 2/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 1/20 0.41
KDR P35968 1/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.41
ABCB1 P08183 1/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL1787162 0.91 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4EKDR
SCHEMBL1787472 0.90 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2KDM4EKDR
SCHEMBL1790457 0.90 PTPN11 (0.45) ALDH1A1PTPN11MAPTKDM4EKDR
SCHEMBL1786456 0.88 ALDH1A1 (0.47) ALDH1A1PTPN11MAPTSMN1; SMN2KDM4E
SCHEMBL1786445 0.87 KDR (0.57) ALDH1A1PTPN11MAPTSMN1; SMN2KDM4E
SCHEMBL1940883 0.84 KDR (0.47) POLBALDH1A1MAPTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL1787604 0.83 ALDH1A1 (0.50) POLBALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1784847 0.82 MAPT (0.51) PTPN11MAPTKDRABCB1TSHR
SCHEMBL1783816 0.81 KDR (0.46) ALDH1A1MAPTSMN1; SMN2KDM4EKDR
SCHEMBL1788504 0.81 KDR (0.45) ALDH1A1MAPTSMN1; SMN2KDM4EKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864977-B1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2015-07-29 EP claimed
US-8507485-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-13 US claimed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US claimed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US claimed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US claimed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP claimed
EP-1864977-B1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2015-07-29 EP disclosed
US-8507485-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-13 US disclosed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 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 (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-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group AGTR1, AGTR2, ARRB1 POLB 2308/4885ALDH1A1 134/4885PTPN11 1377/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 POLB 2122/4885ALDH1A1 185/4885PTPN11 301/4885

“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.