SCHEMBL5926558

SCHEMBL5926558

O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1cc2ccccc2cc1O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.57
ACE2 Q9BYF1 10/20 0.57
ACE P12821 9/20 0.57
CPA1 P15085 8/20 0.57
HPGDS O60760 1/20 0.52
MEN1 O00255 1/20 0.51
MITF O75030 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
NCOA1 Q15788 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
ELANE P08246 2/20 0.51
CA2 P00918 1/20 0.51
ITGB1 P05556 1/20 0.51
ITGA4 P13612 1/20 0.51
ITGB7 P26010 1/20 0.51
PIN1 Q13526 1/20 0.51

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
SCHEMBL27611059 1.00 MME (0.57) MMEACE2ACECPA1HPGDS
SCHEMBL4833896 0.91 KIFC1 (0.56) MMEACE2ACECPA1ELANE
SCHEMBL4833892 0.91 KIFC1 (0.56) MMEACE2ACECPA1ELANE
SCHEMBL4831835 0.90 FPR2 (0.56) MMEACE2ACECPA1PIN1
SCHEMBL4831843 0.90 FPR2 (0.56) MMEACE2ACECPA1PIN1
SCHEMBL4827714 0.89 MME (0.47) MMEACE2ACECPA1HPGDS
SCHEMBL4824898 0.89 KIFC1 (0.57) MMEACE2ACECPA1HPGDS
SCHEMBL4829599 0.88 ERAP1 (0.51) MMEACE2ACECPA1HPGDS
SCHEMBL4829604 0.88 ERAP1 (0.51) MMEACE2ACECPA1HPGDS
SCHEMBL4824089 0.88 KDR (0.60) HPGDSGAAELANE

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 MME 1231/4885ACE2 925/4885ACE 316/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 MME 673/4885ACE2 783/4885ACE 421/4885

“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.