SCHEMBL6466445

SCHEMBL6466445

N#Cc1ccccc1CSC(N)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.42
FFAR1 O14842 1/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FAP Q12884 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
CTSB P07858 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.37
XDH P47989 1/20 0.37
CNR2 P34972 1/20 0.36
TSHR P16473 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL29478396 0.79 DPP4 (0.58) DPP4FFAR1ALDH1A1FAPDPP8
SCHEMBL29478413 0.79 DPP4 (0.58) DPP4FFAR1ALDH1A1FAPDPP8
SCHEMBL2030881 0.79 DPP4 (0.58) DPP4FFAR1ALDH1A1FAPDPP8
SCHEMBL2030885 0.79 DPP4 (0.58) DPP4FFAR1ALDH1A1FAPDPP8
SCHEMBL2032748 0.79 DPP4 (0.58) DPP4FFAR1ALDH1A1FAPDPP8
SCHEMBL6467489 0.76 CYP2C19 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL6466441 0.75 KIF11 (0.44) DPP4ALDH1A1SMN1; SMN2FAPDPP8
SCHEMBL6466438 0.75 KIF11 (0.44) DPP4ALDH1A1SMN1; SMN2FAPDPP8
Hydrochloric Acid SCHEMBL6467921 0.74 IDO1 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL6463198 0.73 CTSS (0.47) CTSBATM

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 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 (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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ DPP4 71/4885FFAR1 3753/4885ALDH1A1 3027/4885

“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.