SCHEMBL2550419

SCHEMBL2550419

COC(=O)C(Cc1ccc(C(C)(F)F)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.55
CTSS P25774 6/20 0.52
CTSK P43235 5/20 0.52
NOS3 P29474 3/20 0.49
NOS1 P29475 3/20 0.49
NOS2 P35228 3/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ACE P12821 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
MDM4 O15151 1/20 0.46
MDM2 Q00987 1/20 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
SCHEMBL1742410 1.00 KLK5 (0.55) KLK5CTSSCTSKNOS3NOS1
SCHEMBL1741897 0.92 NOS3 (0.57) KLK5CTSSCTSKNOS3NOS1
SCHEMBL1741898 0.92 NOS3 (0.57) KLK5CTSSCTSKNOS3NOS1
SCHEMBL18256512 0.90 MEN1 (0.57) KLK5CTSSCTSKNOS3NOS1
SCHEMBL1595805 0.88 ACE (0.60) CTSSCTSKCTSLCTSBPPARG
SCHEMBL20415860 0.87 REN (0.54) CTSSCTSKCTSLCTSBPPARG
SCHEMBL25382593 0.87 CTSS (0.67) KLK5CTSSCTSKNOS3NOS1
SCHEMBL479103 0.87 CTSS (0.67) KLK5CTSSCTSKNOS3NOS1
SCHEMBL479104 0.87 CTSS (0.67) KLK5CTSSCTSKNOS3NOS1
SCHEMBL14884536 0.85 KLK5 (0.58) KLK5CTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858314-B2 Urea derivative or pharmacologically acceptable salt thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2020-12-08 US disclosed
US-10858314-B2 Urea derivative or pharmacologically acceptable salt thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2020-12-08 US disclosed
EP-3303284-B1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN SEIYAKU KK (JP) 2020-04-08 EP disclosed
US-20180208552-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2018-07-26 US disclosed
US-20180208552-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2018-07-26 US disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 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 (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-10858314-B2 Urea derivative or pharmacologically acceptable salt thereof FPR1, SAAL1, FPR2 KLK5 3956/4885CTSS 1485/4885CTSK 2965/4885
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 KLK5 1677/4885CTSS 2788/4885CTSK 1877/4885
US-20180208552-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF FPR1, FPR2, SAAL1 KLK5 3708/4885CTSS 1488/4885CTSK 2892/4885

“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.