SCHEMBL2545351

SCHEMBL2545351

COC(=O)[C@H](Cc1ccc(C(F)(F)F)nc1Cl)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.43
KLK5 Q9Y337 1/20 0.41
GSTP1 P09211 1/20 0.41
GSTM2 P28161 1/20 0.41
CTSS P25774 4/20 0.40
CTSK P43235 4/20 0.40
TACR1 P25103 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
SCN9A Q15858 4/20 0.39
CYP3A4 P08684 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
ACE P12821 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 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
SCHEMBL2545349 1.00 TRPV1 (0.43) TRPV1KLK5GSTP1GSTM2CTSS
SCHEMBL1743314 0.90 ACE (0.47) TRPV1CTSSCTSKPPARGPPARA
SCHEMBL19924835 0.80 KLK5 (0.45) KLK5GSTP1GSTM2CTSSCTSK
SCHEMBL19924836 0.80 KLK5 (0.45) KLK5GSTP1GSTM2CTSSCTSK
SCHEMBL1519828 0.78 KLK5 (0.47) KLK5GSTP1GSTM2CTSSCTSK
SCHEMBL18256473 0.78 KLK5 (0.47) KLK5GSTP1GSTM2CTSSCTSK
SCHEMBL1519826 0.78 KLK5 (0.47) KLK5GSTP1GSTM2CTSSCTSK
SCHEMBL4390584 0.76 CTSS (0.48) KLK5CTSSCTSKTACR1PPARG
SCHEMBL3856557 0.76 CTSS (0.48) KLK5CTSSCTSKTACR1PPARG
SCHEMBL30825597 0.76 KLK5 (0.45) KLK5CTSSCTSKTACR1PPARG

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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 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 (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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 TRPV1 3301/4885KLK5 1677/4885GSTP1 1012/4885

“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.