SCHEMBL4024610

SCHEMBL4024610

CN(Cc1cc(C(=O)OC(C)(C)C)ccc1F)C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 1/20 0.46
THRB P10828 2/20 0.41
SYK P43405 1/20 0.40
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL4027153 0.88 CTSL (0.51) CTSLCTSBCTSSCTSKTHRB
SCHEMBL4024612 0.83 SYK (0.40) CTSLCTSBCTSSCTSKSYK
SCHEMBL10165146 0.74 MEN1 (0.44) CTSLCTSBCTSSSYKMAPT
SCHEMBL4024746 0.73 SMN1; SMN2 (0.47) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7428120 0.73 HDAC1 (0.56) SYKLMNASMN1; SMN2MAPTKMT2A
SCHEMBL26349907 0.73 CTSL (0.66) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL6016839 0.72 SYK (0.57) CTSLCTSBCTSSCTSKSYK
SCHEMBL8254099 0.72 SYK (0.51) SYKMAPTKMT2A
SCHEMBL15876191 0.71 LMNA (0.52) SYKALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4022442 0.71 MEN1 (0.61) CTSLCTSBCTSSCTSKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171428-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2009-06-17 EP disclosed
EP-1171428-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-09-15 EP disclosed
US-6765005-B2 BACTERICIDES; ENZYME INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-07-20 US disclosed
US-20030139377-A1 Fab I inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-24 US disclosed
US-6503903-B1 Administering 3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carboxamide derivative SMITHKLINE BEECHAM CORPORATION 2003-01-07 US disclosed
EP-1171428-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-01-16 EP disclosed
WO-2000063187-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-10-26 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-20030139377-A1 Fab I inhibitors SERPINB1, TFPI, TFPI2 CTSL 235/4885CTSB 128/4885CTSS 265/4885

“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.