SCHEMBL3065774

SCHEMBL3065774

Cc1sc(-c2ccc(Cl)cc2)nc1CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
CYP2C9 P11712 2/20 0.56
CYP1A2 P05177 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
PTPN11 Q06124 1/20 0.48
SHMT1 P34896 1/20 0.48
SHMT2 P34897 1/20 0.48

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
SCHEMBL4462240 0.88 KDM4E (0.57) PTGDR2KDM4EALDH1A1RAB9AMEN1
SCHEMBL3537226 0.86 PTGDR2 (0.56) PTGDR2KDM4EALDH1A1CYP2C9CYP1A2
SCHEMBL9555373 0.85 PTGDR2 (0.58) PTGDR2KDM4EALDH1A1CYP2C9CYP1A2
SCHEMBL13710251 0.84 SHMT1 (0.46) PTGDR2KDM4EALDH1A1CYP2C9CYP1A2
SCHEMBL9555535 0.84 PTGDR2 (0.57) PTGDR2KDM4EALDH1A1CYP2C9CYP1A2
SCHEMBL4905523 0.83 MAPT (0.56) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2580648 0.82 KDM4E (0.62) PTGDR2KDM4EALDH1A1CYP2C9CYP1A2
SCHEMBL9555341 0.82 PTGDR2 (0.59) PTGDR2KDM4EALDH1A1CYP2C9CYP1A2
SCHEMBL13710237 0.82 SHMT1 (0.49) PTGDR2KDM4EALDH1A1CYP2C9CYP1A2
SCHEMBL3257464 0.82 PTPN11 (0.47) PTGDR2KDM4EALDH1A1CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225211-B1 HERBICIDAL PYRIDAZINONE DERIVATIVES DU PONT (US) 2013-10-02 EP disclosed
US-20100267561-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY 2010-10-21 US disclosed
EP-2225211-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES E. I. du Pont de Nemours and Company (US) 2010-09-08 EP disclosed
US-7566731-B2 Hetaryl substituted homotetramic and homotetronic acids and their use thereof as pesticides BAYER CROPSCIENCE AG (DE) 2009-07-28 US disclosed
WO-2009086041-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-09 WO disclosed
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP disclosed
US-7420062-B2 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics BAYER CROPSCIENCE, AG (DE) 2008-09-02 US disclosed
US-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 US disclosed
US-7141533-B2 Hetaryl-substituted heterocycles BAYER CROPSCIENCE AG (DE) 2006-11-28 US disclosed
US-20060084576-A1 2-(Chloro),4-(ethoxycarbonyl-isoprop-2,2-ylene-isoprop-2,2-ylene-oxycarbonyl-methyl),5-(methyl-thiazole; bactericides; herbicides; insecticides; fungicides; nematocides; algicides; molluscicides; construction materials; wood; clay; alkali resistance FISCHER REINER 2006-04-20 US disclosed
US-7026341-B2 Hetaryl substituted homotetramic and homotetronic acids and their use thereof as pesticides BAYER CROPSCIENCE AG (DE) 2006-04-11 US disclosed
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity MERRILL LYNCH CAPITAL, A DIVISION OF MERRILL LYNCH BUSINESS FINANCIAL SERVICES, INC. AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
US-6903085-B1 Substituted piperidine compounds useful as modulators of chemokine receptor activity ASTRAZENECA, AB (CH) 2005-06-07 US disclosed
US-20040220243-A1 Hetaryl-substituted heterocycles FISCHER REINER (DE) 2004-11-04 US disclosed
US-6767864-B2 PESTICIDES, HERBICIDES BAYER CROPSCIENCE AG (DE) 2004-07-27 US disclosed
US-20040097558-A1 Hetaryl substituted homotetramic and homtetronic acids and the use thereof as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-05-20 US disclosed
US-20040009877-A1 HETARYL-SUBSTITUTED HETEROCYCLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-01-15 US disclosed
EP-1212299-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca UK Limited (GB) 2002-06-12 EP disclosed
WO-2001014333-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LIMITED (GB) 2001-03-01 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-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics DDT, CYP1A2, HPD PTGDR2 180/4885KDM4E 2418/4885ALDH1A1 769/4885
US-20040009877-A1 HETARYL-SUBSTITUTED HETEROCYCLES DDT, CYP1B1, CYP4B1 PTGDR2 466/4885KDM4E 1905/4885ALDH1A1 308/4885
US-20040220243-A1 Hetaryl-substituted heterocycles CYP1B1, DDT, CYP1A1 PTGDR2 551/4885KDM4E 2517/4885ALDH1A1 114/4885
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR3 PTGDR2 112/4885KDM4E 2699/4885ALDH1A1 1952/4885
US-20040097558-A1 Hetaryl substituted homotetramic and homtetronic acids and the use thereof as pesticides CYP1B1, CYP1A1, CYP2B6 PTGDR2 226/4885KDM4E 4009/4885ALDH1A1 397/4885
US-20060084576-A1 2-(Chloro),4-(ethoxycarbonyl-isoprop-2,2-ylene-isoprop-2,2-ylene-oxycarbonyl-methyl),5-(methyl-thiazole; bactericides; herbicides; insecticides; fungicides; nematocides; algicides; molluscicides; construction materials; wood; clay; alkali resistance DDT, CYSLTR2, LTB4R2 PTGDR2 62/4885KDM4E 777/4885ALDH1A1 1193/4885
US-20100267561-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES CYP1A1, CYP1B1, CBR3 PTGDR2 683/4885KDM4E 2379/4885ALDH1A1 243/4885

“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.