SCHEMBL3563805

SCHEMBL3563805

Nc1ccc(C(=O)N2CCSC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.56
ALDH1A1 P00352 3/20 0.56
HSD17B10 Q99714 1/20 0.56
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
MGLL Q99685 1/20 0.46
DPP4 P27487 5/20 0.43
L3MBTL3 Q96JM7 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL3152770 0.89 HPGD (0.69) HPGDALDH1A1HSD17B10CA12CA1
SCHEMBL94847 0.83 HPGD (0.56) HPGDALDH1A1HSD17B10DPP4L3MBTL3
SCHEMBL30566616 0.82 HPGD (0.56) HPGDALDH1A1HSD17B10DPP4MEN1
SCHEMBL23236678 0.82 ALDH1A1 (0.62) HPGDALDH1A1HSD17B10MGLLDPP4
Bicarbonate SCHEMBL7014228 0.80 HPGD (0.53) HPGDALDH1A1HSD17B10CA12CA1
SCHEMBL20261717 0.79 CA12 (0.73) HPGDALDH1A1CA12CA1CA2
SCHEMBL9557017 0.76 DPP4 (0.52) DPP4
SCHEMBL4764024 0.76 HPGD (0.69) HPGDALDH1A1CA12CA1CA2
SCHEMBL264516 0.76 HPGD (0.76) HPGDALDH1A1CA12CA1CA2
SCHEMBL4315286 0.76 DPP4 (0.51) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
WO-2008079719-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2008-07-03 WO disclosed
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed
WO-2006055951-A2 TETRAHYDROISOQUINOLINES AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-05-26 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 (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-20060160821-A1 Ureas as factor Xa inhibitors TFPI, F12, F11 HPGD 441/4885ALDH1A1 1143/4885HSD17B10 1478/4885
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample TFPI, F2, TFPI2 HPGD 340/4885ALDH1A1 508/4885HSD17B10 2070/4885

“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.