SCHEMBL5398017

SCHEMBL5398017

CCC(N)[C@H](O)c1nc(-c2cccs2)no1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
RAB9A P51151 12/20 0.46
MCL1 Q07820 1/20 0.44
NPC1 O15118 11/20 0.42
MAPT P10636 4/20 0.42
PKM P14618 3/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 2/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
TP53 P04637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL5398014 1.00 FFAR1 (0.46) FFAR1RAB9AMCL1NPC1MAPT
SCHEMBL14427082 1.00 FFAR1 (0.46) FFAR1RAB9AMCL1NPC1MAPT
SCHEMBL3615352 0.79 S1PR1 (0.53) FFAR1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL5420459 0.79 S1PR1 (0.53) FFAR1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL3879658 0.79 S1PR1 (0.53) FFAR1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL3615355 0.79 S1PR1 (0.53) FFAR1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL14427083 0.75 FFAR1 (0.47) FFAR1RAB9AMCL1NPC1MAPT
SCHEMBL8291559 0.74 FAAH (0.38) RAB9ANPC1MAPTKDM4EKMT2A
Hydrochloric Acid SCHEMBL3869263 0.73 FAAH (0.38) RAB9ANPC1MAPTKDM4EKMT2A
Hydrochloric Acid SCHEMBL3869265 0.73 FAAH (0.38) RAB9ANPC1MAPTKDM4EKMT2A

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-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US disclosed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
US-6977256-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
EP-1446392-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-08-18 EP disclosed
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS INC. 2003-10-23 US disclosed
WO-2003042197-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-05-22 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 (3 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-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE FFAR1 3760/4885RAB9A 494/4885MCL1 348/4885
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE FFAR1 3760/4885RAB9A 494/4885MCL1 348/4885
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE FFAR1 3466/4885RAB9A 500/4885MCL1 190/4885

“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.