SCHEMBL5926313

SCHEMBL5926313

O=C(N[C@@H](Cc1ccc(-c2ccc(C3CCCCC3)cc2)cc1)C(=O)O)c1cc(Cl)ccc1NCc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 10/20 0.42
▸ ITGA4 P13612 10/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ ERAP1 Q9NZ08 2/20 0.41
▸ MME P08473 3/20 0.41
▸ ACE P12821 3/20 0.41
▸ CPA1 P15085 3/20 0.41
▸ ACE2 Q9BYF1 3/20 0.41
▸ SERPINE1 P05121 2/20 0.41
▸ ITGB7 P26010 8/20 0.41
▸ ITGB2 P05107 1/20 0.40
▸ ICAM1 P05362 1/20 0.40
▸ ITGAL P20701 1/20 0.40

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
SCHEMBL5926900 0.91 ITGB1 (0.47) ITGB1ITGA4ERAP1ITGB7ITGB2
SCHEMBL8339646 0.86 ITGB1 (0.44) ITGB1ITGA4ERAP1ITGB7ITGB2
SCHEMBL5926316 0.86 CNR1 (0.42) CNR1CNR2SERPINE1
SCHEMBL3978072 0.85 GPR34 (0.45) ITGB1ITGA4ERAP1ITGB7ITGB2
SCHEMBL8300159 0.84 KIFC1 (0.47) ITGB1ITGA4ERAP1ITGB7ITGB2
SCHEMBL3995086 0.84 KIFC1 (0.47) ITGB1ITGA4ERAP1ITGB7ITGB2
SCHEMBL6101133 0.84 ITGB1 (0.44) ITGB1ITGA4ERAP1MMEACE
SCHEMBL5926694 0.84 ITGB1 (0.47) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL5926907 0.83 ITGB1 (0.45) ITGB1ITGA4ERAP1MMEACE
SCHEMBL5926295 0.82 ITGA4 (0.44) ITGB1ITGA4ERAP1ITGB7ITGB2

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 ITGB1 240/4885ITGA4 312/4885CNR1 818/4885

“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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