SCHEMBL5926703

SCHEMBL5926703

O=C(O)CC(NCc1ccc(-c2ccccc2)cc1)NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTTP P55157 8/20 0.49
▸ MAPK14 Q16539 1/20 0.48
▸ EPHX2 P34913 2/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ PPARG P37231 2/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ ADAMTS5 Q9UNA0 1/20 0.43
▸ MME P08473 1/20 0.43
▸ PPARA Q07869 2/20 0.43

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
SCHEMBL5926349 0.89 MAPK14 (0.47) MTTPMAPK14EPHX2NR1H4HDAC3
SCHEMBL5927274 0.89 HPGDS (0.50) MTTPHDAC2ADAMTS5CYP3A4PIN1
SCHEMBL5926792 0.78 FFAR1 (0.47) MTTPMAPK14PPARGADAMTS5MME
SCHEMBL3991800 0.78 CTSA (0.56) CYP3A4
SCHEMBL5926700 0.78 MTTP (0.50) MTTPMAPK14EPHX2NR1H4HDAC3
SCHEMBL5926607 0.77 CYP3A4 (0.47) MAPK14HDAC2PPARGADAMTS5CYP3A4
SCHEMBL3991795 0.77 PTPN1 (0.62) MME
SCHEMBL5926493 0.77 PTPN1 (0.62) MME
SCHEMBL5927066 0.76 MTTP (0.49) MTTPHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL5817028 0.75 MAPK14 (0.54) MAPK14EPHX2NR1H4HDAC3HDAC4

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 5 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

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 3061/4885EPHX2 603/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 MTTP 1668/4885MAPK14 3787/4885EPHX2 249/4885

“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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