SCHEMBL2565586

SCHEMBL2565586

Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
POLB P06746 1/20 0.52
PTPN1 P18031 1/20 0.52
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA12 O43570 1/20 0.50
ALPL P05186 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TACR2 P21452 1/20 0.50
TACR1 P25103 1/20 0.50
TACR3 P29371 1/20 0.50

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
SCHEMBL28014535 0.87 MAPT (0.52) MAPTPOLBPTPN1KDM4ESMN1; SMN2
SCHEMBL3103714 0.86 MAPT (0.51) MAPTPOLBPTPN1KDM4ESMN1; SMN2
SCHEMBL2792109 0.85 PHGDH (0.61) PTPN1CA12PHGDH
SCHEMBL4692313 0.84 PTPN1 (0.56) PTPN1TP53CYP1A2CYP2C9PHGDH
SCHEMBL2555009 0.84 KMO (0.50) PTPN1KDM4ENPC1RAB9ATACR3
SCHEMBL4692583 0.84 PTPN1 (0.52) MAPTPTPN1KDM4ECA12PHGDH
SCHEMBL1414029 0.84 HDAC3 (0.56) MAPTPTPN1KDM4ECA12ALPL
SCHEMBL11073103 0.83 CYP1A2 (0.53) MAPTPOLBSMN1; SMN2NPC1LMNA
SCHEMBL10958055 0.83 KMO (0.50) POLBPTPN1KDM4ECA12PHGDH
SCHEMBL30722885 0.82 PTPN1 (0.50) PTPN1KDM4ECA12PHGDHMARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104592116-B 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof 山东大学 2017-01-11 CN claimed
CN-104592116-A 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof UNIV SHANDONG 2015-05-06 CN claimed
US-11304929-B2 Tosylacetate based compounds and derivatives thereof as PHGDH inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-04-19 US disclosed
US-20220008386-A1 TOSYLACETATE BASED COMPOUNDS AND DERIVATIVES THEREOF AS PHGDH INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-01-13 US disclosed
EP-3596064-B1 TOSYLACETATE BASED COMPOUNDS AND DERIVATIVES THEREOF AS PHGDH INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-03 EP disclosed
US-20200125564-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2020-04-23 US disclosed
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2020-01-28 US disclosed
US-10065960-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2018-09-04 US disclosed
US-20180194772-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2018-07-12 US disclosed
US-9926325-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2018-03-27 US disclosed
EP-3176171-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2017-06-07 EP disclosed
US-20140371218-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2014-12-18 US disclosed
US-8871761-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders EUROSCREEN S.A. (BE) 2014-10-28 US disclosed
EP-2552920-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS Euroscreen S.A. (BE) 2013-02-06 EP disclosed
US-20130023530-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS EUROSCREEN S.A. (BE) 2013-01-24 US disclosed
WO-2011121137-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS EUROSCREEN S.A. (BE) 2011-10-06 WO disclosed
CN-100467463-C Pyrazolylindolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
CN-1930150-A Pyrazolyl indolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2007-03-14 CN disclosed
US-4495195-A ANTI-GOUT, ANTI-GOUTY ARTHRITIS AGENTS ELI LILLY AND COMPANY (US) 1985-01-22 US disclosed
EP-0112623-A2 3-Aryl-5-pyrazole-carboxylic-acid derivatives, their preparation and pharmaceutical compositions ELI LILLY AND COMPANY (US) 1984-07-04 EP 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-20140371218-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 MAPT 4547/4885POLB 4033/4885PTPN1 2016/4885
US-10065960-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 MAPT 4528/4885POLB 3743/4885PTPN1 1905/4885
US-20180194772-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 MAPT 4547/4885POLB 4033/4885PTPN1 2016/4885
US-11304929-B2 Tosylacetate based compounds and derivatives thereof as PHGDH inhibitors PHGDH, G6PD, PHPT1 MAPT 4398/4885POLB 2696/4885PTPN1 818/4885
US-20220008386-A1 TOSYLACETATE BASED COMPOUNDS AND DERIVATIVES THEREOF AS PHGDH INHIBITORS PHGDH, G6PD, PHPT1 MAPT 4398/4885POLB 2696/4885PTPN1 818/4885
US-20130023530-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 MAPT 4547/4885POLB 4033/4885PTPN1 2016/4885
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 MAPT 4528/4885POLB 3743/4885PTPN1 1905/4885

“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.