SCHEMBL1205901

SCHEMBL1205901

O=C(O)c1cc[c]c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALOX15 P16050 1/20 0.43
TPMT P51580 1/20 0.43
SRD5A2 P31213 4/20 0.42
SRD5A1 P18405 1/20 0.42
MAPT P10636 2/20 0.40
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA6 P23280 2/20 0.40
CA9 Q16790 2/20 0.40
TTR P02766 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CA4 P22748 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL1638088 0.81 PARP1 (0.48) TSHRMAPTALDH1A1POLBL3MBTL1
SCHEMBL561510 0.81 NPC1 (0.38) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2922626 0.80 L3MBTL1 (0.55) SRD5A2MAPTCA1CA2ALDH1A1
SCHEMBL11816303 0.76 ATM (0.41) TSHRMAPTALDH1A1KDM4EGAA
SCHEMBL871977 0.76 CA1 (0.47) TSHRALOX15MAPTCA12CA1
SCHEMBL1637722 0.76 HDAC8 (0.46) TSHRALOX15CA2ALDH1A1KDM4E
SCHEMBL1637852 0.76 ALDH1A1 (0.40) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5857066 0.76 KDM4E (0.42) TSHRSRD5A2MAPTCA12CA1
SCHEMBL490251 0.76 KDM4E (0.42) TSHRSRD5A2MAPTCA12CA1
SCHEMBL2467941 0.76 CA12 (0.46) TSHRSRD5A2MAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 EP claimed
US-9139546-B2 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2015-09-22 US claimed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US claimed
CN-102827091-A Triazine mercapto derivate as well as preparation method and application thereof UNIV SHANDONG 2012-12-19 CN claimed
EP-2479165-A1 GLYCINE COMPOUND Astellas Pharma Inc. (JP) 2012-07-25 EP claimed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US claimed
CN-102516244-A Hexa-atomic aromatic heterocyclic imidazole mercapto-acetamide derivative, and preparation method and application thereof UNIV SHANDONG 2012-06-27 CN claimed
CN-102498091-A Glycine compound ASTELLAS PHARMA INC 2012-06-13 CN claimed
CN-102276535-A Azazine mercaptoacetamide derivative and preparation method and application thereof 2011-12-14 CN claimed
US-20110207748-A1 Tri-Aryl/Heteroaromatic Cannabinoids and Use Thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2011-08-25 US claimed
US-7888365-B2 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2011-02-15 US claimed
CN-101772491-A Repaglinide substantially free of dimer impurity ACTAVIS GROUP PTC EHF 2010-07-07 CN claimed
CN-101631781-A Improved preparation method of ethyl (S) -2-ethoxy-4- [ N- [ 1- (2-piperidinophenyl) -3-methyl-1-butyl ] aminocarbonylmethyl ] benzoate and application thereof in preparation of repaglinide ACTAVIS GROUP PTC EHF 2010-01-20 CN claimed
EP-2131655-A2 TRI-ARYL/HETEROAROMATIC CANNABINOIDS AND USE THEREOF The University of Tennessee Research Foundation (US) 2009-12-16 EP claimed
US-20080234293-A1 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2008-09-25 US claimed
WO-2008109027-A2 TRI-ARYL/HETEROAROAROMATIC CANNABINOIDS AND USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2008-09-12 WO claimed
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US claimed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP claimed
US-7094792-B2 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2006-08-22 US claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed

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-20120184520-A1 GLYCINE COMPOUND SLC5A1, AQP1, VAPB TSHR 4678/4885ALOX15 1096/4885TPMT 2462/4885
US-20080234293-A1 Tri-aryl/heteroaromatic cannabinoids and use thereof CNR1, CNR2, OPRM1 TSHR 373/4885ALOX15 826/4885TPMT 2156/4885
US-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 TSHR 1728/4885ALOX15 3710/4885TPMT 308/4885
US-20110207748-A1 Tri-Aryl/Heteroaromatic Cannabinoids and Use Thereof CNR1, CNR2, OPRM1 TSHR 373/4885ALOX15 826/4885TPMT 2156/4885

“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.