SCHEMBL4806232

SCHEMBL4806232

CC[C@H](C)[C@@H](C=C[N+](=O)[O-])OCc1cccc(F)c1F

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.30
CTSB P07858 3/20 0.30
TLR4 O00206 2/20 0.30
TLR2 O60603 2/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL4806217 1.00 CTSL (0.30) CTSLCTSBTLR4TLR2MAOA
SCHEMBL4806975 0.81 RIPK1 (0.34) RIPK1
SCHEMBL4799320 0.81 RIPK1 (0.34) RIPK1
SCHEMBL4806968 0.81 RIPK1 (0.34) RIPK1
SCHEMBL4807644 0.79 IDO1 (0.37) CTSLCTSBMAOB
SCHEMBL4807655 0.79 IDO1 (0.37) CTSLCTSBMAOB
SCHEMBL4800552 0.78 CTSL (0.45) CTSLCTSBTLR4TLR2MAOA
SCHEMBL4800555 0.78 CTSL (0.45) CTSLCTSBTLR4TLR2MAOA
SCHEMBL4807633 0.76 MAOA (0.34) CTSLCTSBTLR4TLR2MAOA
SCHEMBL4807639 0.76 MAOA (0.34) CTSLCTSBTLR4TLR2MAOA

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-7446125-B2 Derivatives of nitroproline compounds, processes of manufacture and uses in the treatment of integrin mediated disorders UNIVERSIDAD DEL PAIS VASCO (ES) 2008-11-04 US disclosed
US-20060211630-A1 Novel synthetic compounds, processes of manufacture and uses in the treatment of integrin-mediated disorders UNIVERSIDAD DEL PAIS VASCO (ES) 2006-09-21 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-20060211630-A1 Novel synthetic compounds, processes of manufacture and uses in the treatment of integrin-mediated disorders ITGB5, ITGA5, ITGAV CTSL 1018/4885CTSB 1023/4885TLR4 1184/4885

“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.