SCHEMBL3998570

SCHEMBL3998570

NC(CC(=O)O)c1ccc(-c2ccccc2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
BCL2L1 Q07817 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR1 O14842 2/20 0.41
TPH1 P17752 1/20 0.41
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
ADAMTS4 O75173 1/20 0.40
KDM1A O60341 1/20 0.40
PRKAG1 P54619 3/20 0.39
PRKAA1 Q13131 3/20 0.39
PRKAB1 Q9Y478 3/20 0.39
HCAR2 Q8TDS4 1/20 0.39
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL27630117 0.84 KMT2A (0.48) ALDH1A1HPGDBCL2L1HSD17B10KMT2A
SCHEMBL1310193 0.83 FFAR1 (0.56) KMT2ASMN1; SMN2FFAR1TPH1GABBR2
SCHEMBL20545703 0.83 FFAR1 (0.56) KMT2ASMN1; SMN2FFAR1TPH1GABBR2
SCHEMBL20545291 0.83 SLC1A3 (0.54) KMT2ASMN1; SMN2FFAR1TPH1GABBR2
SCHEMBL20545289 0.83 SLC1A3 (0.54) KMT2ASMN1; SMN2FFAR1TPH1GABBR2
SCHEMBL3995468 0.82 TNF (0.40) ALDH1A1HPGDBCL2L1HSD17B10ADAMTS4
Hydrochloric Acid SCHEMBL6949714 0.82 FFAR1 (0.54) KMT2ASMN1; SMN2FFAR1TPH1GABBR2
SCHEMBL6607584 0.80 MME (0.53) DHODH
SCHEMBL7227941 0.80 MME (0.53) DHODH
SCHEMBL123765 0.79 GABBR2 (0.59) KMT2ASMN1; SMN2GABBR2GABBR1CYP2C19

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-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 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-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 EP 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-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014533-A2 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

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 ALDH1A1 3511/4885HPGD 1337/4885BCL2L1 3790/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 ALDH1A1 2142/4885HPGD 827/4885BCL2L1 4088/4885
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 ALDH1A1 2886/4885HPGD 774/4885BCL2L1 3827/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO ALDH1A1 711/4885HPGD 1846/4885BCL2L1 2941/4885

“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.