SCHEMBL631087

SCHEMBL631087

NC(=O)c1ccsc1C(=O)N[CH]Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 10/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK10 P53779 4/20 0.45
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BCAT2 O15382 1/20 0.40
PTPRC P08575 1/20 0.40
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
DHODH Q02127 1/20 0.37

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
SCHEMBL5892305 0.74 MAOB (0.44) KMT2ASMN1; SMN2MAPK1MEN1
SCHEMBL8457012 0.71 NPC1 (0.51) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL5176074 0.71 ALDH1A1 (0.52) MAPK8NPC1RAB9AMAPK10ALDH1A1
Malonic Acid SCHEMBL2887012 0.70 MAPT (0.50) MAPK8NPC1RAB9AMAPK10ALDH1A1
SCHEMBL5783496 0.69 MAOB (0.46) ALDH1A1KMT2ASMN1; SMN2MAPK1MEN1
SCHEMBL3979989 0.69 ALDH1A1 (0.57) MAPK8NPC1RAB9AMAPK10ALDH1A1
SCHEMBL6162448 0.68 MAPK8 (0.47) MAPK8NPC1RAB9AMAPK10ALDH1A1
SCHEMBL2889862 0.68 MAPT (0.61) MAPK8NPC1RAB9AMAPK10ALDH1A1
SCHEMBL31689136 0.67 MAPK8 (0.55) MAPK8NPC1RAB9AMAPK10ALDH1A1
SCHEMBL30511206 0.67 MAPK8 (0.49) MAPK8NPC1RAB9AMAPK10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US claimed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US disclosed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US 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-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF FKBP1A, FKBP1B, FKBP3 MAPK8 4435/4885NPC1 1264/4885RAB9A 1603/4885

“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.