SCHEMBL5926329

SCHEMBL5926329

CC(C)(C)c1ccc(CNc2ccc(Cl)cc2C(=O)N[C@@H](Cc2ccc(-c3ccccc3OCc3ccccc3)cc2)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 2/20 0.51
▸ GPR34 Q9UPC5 4/20 0.48
▸ ITGB1 P05556 6/20 0.45
▸ ITGA4 P13612 6/20 0.45
▸ ITGB7 P26010 6/20 0.45
▸ PTPN1 P18031 2/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ PTGER1 P34995 1/20 0.41
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL5926541 0.92 KIFC1 (0.48) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL5927210 0.90 ITGA4 (0.45) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL5926331 0.88 CYP26A1 (0.44) KIFC1KMT2APTGER1
SCHEMBL5926738 0.87 SERPINE1 (0.49) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL5926899 0.86 ITGA4 (0.42) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL5927129 0.85 GPR34 (0.57) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL4829492 0.84 KIFC1 (0.60) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL3976257 0.84 KIFC1 (0.49) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL5926268 0.84 KIFC1 (0.49) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL6511059 0.82 KIFC1 (0.47) KIFC1GPR34ITGB1ITGA4ITGB7

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 KIFC1 4489/4885GPR34 4272/4885ITGB1 240/4885

“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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