SCHEMBL3979148

SCHEMBL3979148

O=C(O)c1cc(-c2ccc(F)c(Cl)c2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 7/20 0.59
MCL1 Q07820 6/20 0.59
DHFR P00374 2/20 0.59
HNF4A P41235 1/20 0.59
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
TTR P02766 1/20 0.56
ALB P02768 1/20 0.56
HMGB1 P09429 1/20 0.56
HPGD P15428 1/20 0.56
CXCL12 P48061 1/20 0.56
KMT2A Q03164 1/20 0.56
HIF1A Q16665 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL3978045 0.85 CASP1 (0.57) MEN1ALDH1A1KMT2AERCC1ERCC4
SCHEMBL3978041 0.85 ERCC1 (0.50) ACMSDMCL1DHFRHNF4ACA1
SCHEMBL11693280 0.85 AKR1C2 (0.66) ERCC1ERCC4RPA1XDHSLC22A12
SCHEMBL2512415 0.84 ACMSD (0.65) ACMSDMCL1DHFRHNF4ACA1
SCHEMBL16608990 0.83 RPA1 (0.58) ALDH1A1ERCC1ERCC4RPA1XDH
SCHEMBL3992448 0.82 KDM4E (0.68) ACMSDMCL1DHFRHNF4ACA1
SCHEMBL3689633 0.82 ACMSD (0.72) ACMSDMCL1DHFRHNF4ACA1
SCHEMBL2771723 0.82 ACMSD (0.83) ACMSDMCL1DHFRHNF4ACA1
SCHEMBL29904854 0.82 ACMSD (0.83) ACMSDMCL1DHFRHNF4ACA1
SCHEMBL3979604 0.81 CA12 (0.53) CA1CA2KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 US disclosed
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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 US disclosed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO 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
US-4044049-A Phenyl benzoic acid compounds MERCK & CO., INC. (US) 1977-08-23 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 (4 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 ACMSD 954/4885MCL1 4311/4885DHFR 1987/4885
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 ACMSD 2390/4885MCL1 303/4885DHFR 80/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 ACMSD 1294/4885MCL1 3495/4885DHFR 1181/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO ACMSD 3140/4885MCL1 1273/4885DHFR 86/4885

“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.