SCHEMBL5926591

SCHEMBL5926591

CC(C)(C)c1ccc(CNc2ccc(Oc3cccc(C(F)(F)F)c3)cc2C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 8/20 0.53
▸ GPR34 Q9UPC5 1/20 0.51
▸ MCL1 Q07820 1/20 0.45
▸ ITGB1 P05556 1/20 0.44
▸ ITGA4 P13612 1/20 0.44
▸ PDK1 Q15118 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ PDK3 Q15120 1/20 0.43
▸ PDK4 Q16654 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MAPK14 Q16539 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ GPR132 Q9UNW8 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 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
SCHEMBL5926596 0.88 CTSA (0.42) KIFC1GPR34MAPK14RXFP1
SCHEMBL5926244 0.88 GPR34 (0.49) KIFC1GPR34MCL1ITGB1ITGA4
SCHEMBL5927135 0.87 PDK1 (0.46) GPR34MCL1ITGB1ITGA4PDK1
SCHEMBL5927459 0.87 PDK1 (0.46) KIFC1GPR34MCL1ITGB1ITGA4
SCHEMBL5926729 0.86 KMT2A (0.44) KIFC1ITGB1ITGA4KMT2APPARG
SCHEMBL5926340 0.86 KMT2A (0.44) KIFC1GPR34ITGB1ITGA4PDK1
SCHEMBL5926379 0.85 KIFC1 (0.51) KIFC1GPR34MCL1ITGB1ITGA4
SCHEMBL5927334 0.83 PDK1 (0.44) KIFC1GPR34MCL1ITGB1ITGA4
SCHEMBL4832849 0.80 KIFC1 (0.62) KIFC1GPR34MCL1ITGB1ITGA4
SCHEMBL4831832 0.80 KIFC1 (0.62) KIFC1GPR34MCL1ITGB1ITGA4

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 4272/4885MCL1 3495/4885

“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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