SCHEMBL5927210

SCHEMBL5927210

CC(C)(C)c1ccc(CNc2ccc(Cl)cc2C(=O)N[C@@H](Cc2ccc(-c3ccccc3Oc3ccccc3)cc2)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 14/20 0.45
▸ ITGB1 P05556 13/20 0.45
▸ ITGB7 P26010 10/20 0.45
▸ KMT2A Q03164 1/20 0.41
▸ GPR34 Q9UPC5 1/20 0.41
▸ KIFC1 Q9BW19 1/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL5926899 0.94 ITGA4 (0.42) ITGA4ITGB1ITGB7KMT2AGPR34
SCHEMBL5927430 0.92 GPR34 (0.47) ITGA4ITGB1ITGB7GPR34ALDH1A1
SCHEMBL5927439 0.92 ITGA4 (0.45) ITGA4ITGB1ITGB7KMT2AKIFC1
SCHEMBL5926197 0.91 SERPINE1 (0.49) ITGA4ITGB1ITGB7KIFC1PDK1
SCHEMBL3995240 0.91 ITGA4 (0.45) ITGA4ITGB1ITGB7KMT2AKIFC1
SCHEMBL5926329 0.90 KIFC1 (0.51) ITGA4ITGB1ITGB7KMT2AGPR34
SCHEMBL5926933 0.89 ITGA4 (0.46) ITGA4ITGB1ITGB7KMT2APDK1
SCHEMBL5926541 0.89 KIFC1 (0.48) ITGA4ITGB1ITGB7KMT2AGPR34
SCHEMBL5926938 0.88 KIFC1 (0.47) ITGA4ITGB1ITGB7GPR34KIFC1
SCHEMBL5926977 0.88 FFAR1 (0.45) ITGA4ITGB1ITGB7GPR34KIFC1

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 3 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
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 — — WO 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 ITGA4 312/4885ITGB1 240/4885ITGB7 762/4885

“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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