SCHEMBL7974938

SCHEMBL7974938

O=C([O-])CC(NC(=O)C[N+]1(CCC(=O)O)C(=O)CNC1=O)NC(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.36
CTSL P07711 1/20 0.36
HTT P42858 1/20 0.35
CTRB1 P17538 2/20 0.34
TACR1 P25103 1/20 0.34
CPB1 P15086 1/20 0.34

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
SCHEMBL7212579 0.92 CTSL (0.38) CASP1CTSLCTRB1
SCHEMBL7211516 0.89 CASP1 (0.35) CASP1CTSL
SCHEMBL7217644 0.88 CTSL (0.36) CASP1CTSL
SCHEMBL7211505 0.85 ITGB3 (0.42) CASP1CTSL
SCHEMBL7212746 0.84 ITGB3 (0.39) CASP1CTSL
SCHEMBL7217701 0.84 SYK (0.42)
SCHEMBL7217675 0.84 CASP1 (0.39) CASP1CTSL
SCHEMBL7216491 0.83 ITGB3 (0.40)
SCHEMBL7217673 0.81 ALOX15 (0.31)
SCHEMBL7211342 0.80 ITGB3 (0.43) CASP1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors WEHNER VOLKMAR (DE) 2001-09-13 US disclosed
US-6218415-B1 THERAPY OF BONE REABSORPTION BY OSTEOCLASTS, TUMOR GROWTH AND TUMOR METASTASIS, INFLAMMATION, CARDIOVASCULAR DISEASE, NEPHROPATHIES AND RETINOPATHIES HOECHST AKTIENGESELLSCHAFT (DE) 2001-04-17 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-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST CASP1 2981/4885CTSL 761/4885HTT 4576/4885

“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.