SCHEMBL4829604

SCHEMBL4829604

O=C(N[C@@H](Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)C(=O)O)c1cc2ccccc2cc1O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 2/20 0.51
ECE1 P42892 2/20 0.51
ITGB1 P05556 5/20 0.50
ITGA4 P13612 5/20 0.50
ITGB7 P26010 3/20 0.50
PYGL P06737 1/20 0.49
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
GPR34 Q9UPC5 3/20 0.46
HPGDS O60760 1/20 0.45
KIFC1 Q9BW19 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45

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
SCHEMBL4829599 1.00 ERAP1 (0.51) ERAP1ECE1ITGB1ITGA4ITGB7
SCHEMBL4827784 0.91 ECE1 (0.53) ERAP1ECE1ITGB1ITGA4ITGB7
SCHEMBL4827782 0.91 ECE1 (0.53) ERAP1ECE1ITGB1ITGA4ITGB7
SCHEMBL4824673 0.89 KDR (0.51) ECE1PYGL
SCHEMBL4824679 0.89 KDR (0.51) ECE1PYGL
SCHEMBL27611059 0.88 MME (0.57) ITGB1ITGA4ITGB7MMEACE
SCHEMBL5926558 0.88 MME (0.57) ITGB1ITGA4ITGB7MMEACE
SCHEMBL4827714 0.87 MME (0.47) ERAP1ITGB1ITGA4ITGB7MME
SCHEMBL5927314 0.86 PYGL (0.53) ERAP1ECE1ITGB1ITGA4PYGL
SCHEMBL6497428 0.85 ECE1 (0.52) ERAP1ECE1ITGB1ITGA4ITGB7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
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 ERAP1 2107/4885ECE1 305/4885ITGB1 139/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 ERAP1 2812/4885ECE1 479/4885ITGB1 240/4885

“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.