SCHEMBL2074425

SCHEMBL2074425

N#Cc1ccc(-c2ccc(CC(C#N)NC(=O)O)cc2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSC P53634 20/20 0.65
CTSK P43235 7/20 0.64
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CTSH P09668 1/20 0.47
CYP2D6 P10635 1/20 0.47
KCNH2 Q12809 2/20 0.46

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
SCHEMBL12383142 0.83 CTSC (0.58) CTSCCTSKKCNH2
SCHEMBL22046325 0.83 CTSC (0.58) CTSCCTSKKCNH2
SCHEMBL21985830 0.80 CTSC (0.64) CTSCCTSKKCNH2
SCHEMBL16932288 0.80 CTSC (0.64) CTSCCTSKKCNH2
SCHEMBL19187745 0.80 CTSC (0.61) CTSCCTSKCYP1A2CYP3A4CTSH
SCHEMBL16090818 0.79 CTSC (1.00) CTSCCTSK
SCHEMBL2075293 0.79 CTSC (0.64) CTSCCTSKCYP1A2CYP3A4CTSH
SCHEMBL16071152 0.79 CTSC (1.00) CTSCCTSK
SCHEMBL16071109 0.79 CTSC (1.00) CTSCCTSK
SCHEMBL16048989 0.79 CTSC (1.00) CTSCCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 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 (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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CTSC 3209/4885CTSK 3280/4885CYP1A2 320/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CTSC 3209/4885CTSK 3280/4885CYP1A2 320/4885

“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.