SCHEMBL4030680

SCHEMBL4030680

O=C(N[C@H](Cc1ccccc1)C(=O)CNCc1cc(C(=O)O)ccc1F)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.48
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
ITGB3 P05106 4/20 0.45
ITGA2B P08514 4/20 0.45
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
ACE P12821 1/20 0.43
CASP1 P29466 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
SCHEMBL4030676 1.00 TACR1 (0.48) TACR1CTSLCTSBCTSSCTSK
SCHEMBL4023426 0.92 CASP1 (0.42) TACR1CTSKITGB3ITGA2BALDH1A1
SCHEMBL4023417 0.92 CASP1 (0.42) TACR1CTSKITGB3ITGA2BALDH1A1
SCHEMBL4021273 0.90 CTSK (0.46) TACR1CTSLCTSBCTSSCTSK
SCHEMBL6954029 0.89 CASP1 (0.44) CASP1
SCHEMBL6954041 0.89 CASP1 (0.44) CASP1
SCHEMBL4022449 0.87 ATM (0.43) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL4022451 0.87 ATM (0.43) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL4027155 0.81 PTGER1 (0.42) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL4026193 0.80 MEN1 (0.57) CTSLCTSBCTSSCTSK

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-1171428-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2009-06-17 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

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 TACR1 3626/4885CTSL 235/4885CTSB 128/4885

“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.