SCHEMBL5926976

SCHEMBL5926976

O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1cc(Cl)ccc1N(Cc1cccc2ccccc12)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.44
▸ BCL2 P10415 3/20 0.43
▸ BCL2L1 Q07817 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ CCR3 P51677 7/20 0.42
▸ ITGB1 P05556 3/20 0.42
▸ ITGA4 P13612 3/20 0.42
▸ ITGB7 P26010 1/20 0.42
▸ ITGB2 P05107 1/20 0.42
▸ ICAM1 P05362 1/20 0.42
▸ ITGAL P20701 1/20 0.42
▸ MMP2 P08253 2/20 0.39
▸ ADAMTS5 Q9UNA0 1/20 0.39

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
SCHEMBL5927175 0.94 ITGB1 (0.47) CA2BCL2BCL2L1MCL1ITGB1
SCHEMBL5926979 0.88 CTSA (0.41) CCR3
SCHEMBL5926531 0.83 ITGB1 (0.51) CA2MCL1ITGB1ITGA4ITGB7
SCHEMBL5926498 0.82 ITGB1 (0.52) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL5927179 0.81 CTSA (0.45) —
SCHEMBL5926611 0.80 MMP1 (0.51) CA2ITGB1ITGA4ITGB7MMP2
SCHEMBL5926711 0.79 ITGB1 (0.50) CA2ITGB1ITGA4ITGB7MMP2
SCHEMBL5926499 0.79 ITGB1 (0.47) CA2ITGB1ITGA4ITGB7MMP2
SCHEMBL8337901 0.79 ITGB1 (0.47) CA2ITGB1ITGA4ITGB7MMP2
SCHEMBL8337871 0.79 KEAP1 (0.45) MCL1

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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 — — US disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 — — 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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 CA2 4187/4885BCL2 2041/4885BCL2L1 4088/4885

“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.

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