SCHEMBL5927016

SCHEMBL5927016

O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 5/20 0.60
▸ ITGB1 P05556 6/20 0.58
▸ ITGA4 P13612 6/20 0.58
▸ MCL1 Q07820 4/20 0.56
▸ ITGB7 P26010 3/20 0.53
▸ FPR2 P25090 1/20 0.53
▸ PDK1 Q15118 1/20 0.52
▸ PDK2 Q15119 1/20 0.52
▸ PDK3 Q15120 1/20 0.52
▸ PDK4 Q16654 1/20 0.52
▸ GPR34 Q9UPC5 1/20 0.51
▸ MME P08473 1/20 0.50
▸ ACE P12821 1/20 0.50
▸ ACE2 Q9BYF1 1/20 0.50
▸ MRGPRX4 Q96LA9 1/20 0.50

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
SCHEMBL8337586 0.91 ITGB1 (0.66) KIFC1ITGB1ITGA4MCL1ITGB7
SCHEMBL5927201 0.89 ITGB1 (0.66) KIFC1ITGB1ITGA4MCL1ITGB7
SCHEMBL5692210 0.88 ITGB1 (0.56) KIFC1ITGB1ITGA4ITGB7PDK1
SCHEMBL5926920 0.86 PDK1 (0.56) KIFC1ITGB1ITGA4MCL1ITGB7
SCHEMBL5927352 0.86 KIFC1 (0.61) KIFC1ITGB1ITGA4MCL1ITGB7
SCHEMBL5927166 0.84 PDK1 (0.54) KIFC1ITGB1ITGA4MCL1FPR2
SCHEMBL6097133 0.84 ITGB1 (0.51) KIFC1ITGB1ITGA4MCL1ITGB7
SCHEMBL3991301 0.84 ITGB1 (0.51) KIFC1ITGB1ITGA4MCL1ITGB7
SCHEMBL4829787 0.84 ITGB1 (0.51) KIFC1ITGB1ITGA4MCL1ITGB7
SCHEMBL3989525 0.84 ITGB1 (0.51) KIFC1ITGB1ITGA4MCL1ITGB7

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 KIFC1 4489/4885ITGB1 240/4885ITGA4 312/4885

“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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