SCHEMBL5926700

SCHEMBL5926700

O=C(N[C@@H](CNCc1ccc(-c2ccccc2)cc1)C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTTP P55157 5/20 0.50
▸ MAPK14 Q16539 1/20 0.49
▸ HDAC1 Q13547 5/20 0.47
▸ EPHX2 P34913 2/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47
▸ ITGB1 P05556 1/20 0.47
▸ ITGA4 P13612 1/20 0.47
▸ PPARG P37231 2/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ KIFC1 Q9BW19 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL5926346 0.89 MAPK14 (0.48) MTTPMAPK14HDAC1PPARG
SCHEMBL5927271 0.85 TACR1 (0.50) MTTPMAPK14EPHX2FPR2MMP13
SCHEMBL3991795 0.85 PTPN1 (0.62) ITGB1ITGA4KIFC1FPR2PTPN1
SCHEMBL5926493 0.85 PTPN1 (0.62) ITGB1ITGA4KIFC1FPR2PTPN1
SCHEMBL5926884 0.82 EPHX2 (0.46) MAPK14EPHX2PPARGPPARAKIFC1
SCHEMBL5926834 0.82 EPHX2 (0.46) MAPK14EPHX2PPARGPPARAKIFC1
SCHEMBL5926788 0.80 PPARA (0.54) MTTPMAPK14PPARGPPARAKIFC1
SCHEMBL5926551 0.79 MAPK14 (0.59) MAPK14ITGB1ITGA4PPARGPPARA
SCHEMBL5926709 0.79 MMP9 (0.55) ITGB1ITGA4MMP13
SCHEMBL5927070 0.79 KIFC1 (0.61) ITGB1ITGA4KIFC1FPR2PTPN1

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 6 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
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 — — EP disclosed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 — — US disclosed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 — — WO 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 (2 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 MTTP 3028/4885MAPK14 3061/4885HDAC1 1637/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 MTTP 1668/4885MAPK14 3787/4885HDAC1 656/4885

“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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