SCHEMBL1744724

SCHEMBL1744724

COC(=O)[C@H](Cc1ccc2c(c1)OCCO2)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.50
CTSS P25774 10/20 0.44
CTSK P43235 9/20 0.44
CTSB P07858 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
PLIN1 O60240 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
PLIN5 Q00G26 1/20 0.44
ABHD5 Q8WTS1 1/20 0.44
ACE P12821 1/20 0.43
CTSL P07711 1/20 0.42

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
SCHEMBL1744721 1.00 KLK5 (0.50) KLK5CTSSCTSKCTSBSMN1; SMN2
SCHEMBL1743843 0.90 ACE (0.55) CTSSCTSKCTSBALDH1A1MAPT
SCHEMBL20415708 0.88 TAS1R3 (0.52) KLK5CTSSCTSKCTSBNPC1
SCHEMBL18262693 0.88 TAS1R3 (0.52) KLK5CTSSCTSKCTSBNPC1
SCHEMBL24503057 0.86 KLK5 (0.46) KLK5CTSSCTSKCTSBACE
SCHEMBL20397635 0.86 KLK5 (0.46) KLK5CTSSCTSKCTSBACE
SCHEMBL8248143 0.84 CYP3A4 (0.48) SMN1; SMN2KDM4ENPC1ALDH1A1MAPT
SCHEMBL16460098 0.84 SMN1; SMN2 (0.46) CTSSCTSKCTSBSMN1; SMN2KDM4E
SCHEMBL16460097 0.84 SMN1; SMN2 (0.46) CTSSCTSKCTSBSMN1; SMN2KDM4E
SCHEMBL1744778 0.83 ATM (0.45) SMN1; SMN2NPC1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed
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 KLK5 1677/4885CTSS 2788/4885CTSK 1877/4885

“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.