SCHEMBL519233

SCHEMBL519233

CCc1cc[nH]c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
PRNP P04156 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARG P37231 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35

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
SCHEMBL15139997 0.86 PTPN1 (0.40) PPARGHCAR2RXRA
SCHEMBL27591550 0.83 GABRP (0.43) ALDH1A1CYP1A2PPARGHIF1AGABRA1
SCHEMBL1491958 0.83 PARP1 (0.34) ALDH1A1KDM4EHPGDHSD17B10ENPP2
SCHEMBL15782800 0.83 HSD17B1 (0.34) ALDH1A1GABRA1GABRB2HSD17B10LMNA
SCHEMBL10866762 0.81 BID (0.46) ALDH1A1PPARGKDM4EHSD17B10HCAR2
SCHEMBL11865883 0.81 AKR1B1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL384597 0.81 HTR7 (0.33) ALDH1A1KDM4EHPGDHSD17B10ENPP2
SCHEMBL16236670 0.81 KDM4E (0.32) ALDH1A1HIF1AKDM4EHPGDHSD17B10
SCHEMBL8182312 0.81 CCNC (0.41) GABRA1GABRB2
SCHEMBL28094333 0.80 KAT8 (0.49) ALDH1A1PPARGKDM4EHSD17B10MEN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
EP-1745032-B1 CXCR1 and CXCR2 chemokine antagonists MERCK SHARP & DOHME (US) 2013-07-31 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-8148413-B2 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2012-04-03 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
US-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS SUNOVION PHARMACEUTICALS INC. (US) 2011-04-21 US disclosed
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2011-04-07 US disclosed
US-7893098-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2011-02-22 US disclosed
US-7812043-B2 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2010-10-12 US disclosed
US-20070248594-A1 CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS SCHERING CORPORATION 2007-10-25 US disclosed
US-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes NOVO NORDISK A/S (DK) 2007-02-01 US disclosed
EP-1745032-A2 CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS Schering Cooperation (US) 2007-01-24 EP disclosed
EP-1709004-A2 PYRROLE AND PYRAZOLE DAAO INHIBITORS Sepracor Inc. (US) 2006-10-11 EP disclosed
EP-1689392-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2006-08-16 EP disclosed
US-20060014794-A1 CXCR1 and CXCR2 chemokine antagonists SCHERING CORPORATION 2006-01-19 US disclosed
WO-2005113534-A2 CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS SCHERING CORPORATION (US) 2005-12-01 WO disclosed
WO-2005066135-A2 PYRROLE AND PYRAZOLE DAAO INHIBITORS SEPRACOR INC. (US) 2005-07-21 WO disclosed
US-20050143443-A1 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2005-06-30 US disclosed
WO-2005049019-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2005-06-02 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 (7 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-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS DDO, DAO, SRR ALDH1A1 3634/4885PRNP 681/4885CYP1A2 3265/4885
US-20050143443-A1 Pyrrole and pyrazole DAAO inhibitors DDO, DAO, SRR ALDH1A1 3634/4885PRNP 681/4885CYP1A2 3265/4885
US-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes GALK1, GCKR, GCK ALDH1A1 2638/4885PRNP 4320/4885CYP1A2 2485/4885
US-20070248594-A1 CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS CXCR1, CXCR2, CXCR5 ALDH1A1 1045/4885PRNP 4612/4885CYP1A2 2928/4885
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES GCKR, GCK, GALK1 ALDH1A1 1240/4885PRNP 4605/4885CYP1A2 585/4885
US-20060014794-A1 CXCR1 and CXCR2 chemokine antagonists CXCR1, CXCR2, CXCR5 ALDH1A1 1045/4885PRNP 4612/4885CYP1A2 2928/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 ALDH1A1 779/4885PRNP 4218/4885CYP1A2 1812/4885

“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.