SCHEMBL595476

SCHEMBL595476

O=C(O)CCc1cc(O)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.45
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
PKM P14618 3/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 3/20 0.36
KEAP1 Q14145 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
CYP2C19 P33261 2/20 0.36
GFER P55789 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36

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
SCHEMBL19126695 0.86 PPARA (0.62) PPARAMAPTPOLBTDP1TSHR
SCHEMBL11363718 0.83 PPARA (0.35) PPARAMMP2MMP8MMP12ALDH1A1
SCHEMBL2402699 0.83 MMP2 (0.36) PPARAMMP2MMP8MMP12ALDH1A1
SCHEMBL11363711 0.81 PPARA (0.33) PPARA
SCHEMBL11661758 0.81 PPARA (0.60) PPARAMMP2MMP8MMP12ALDH1A1
SCHEMBL7423467 0.80 VHL (0.38) PPARAALDH1A1MAPTHSD17B10POLB
SCHEMBL9990153 0.79 PPARA (0.44) PPARAMMP2MMP8MMP12ALDH1A1
SCHEMBL22317120 0.79 VHL (0.49) PPARAMMP2MMP8MMP12ALDH1A1
SCHEMBL4349489 0.79 PPARA (0.44) PPARAMMP2MMP8MMP12ALDH1A1
SCHEMBL2400011 0.79 NPC1 (0.41) PPARAMMP2MMP8MMP12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654857-B2 Bicyclic compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors HOFFMAN-LA ROCHE INC. (US) 2020-05-19 US disclosed
EP-3122750-B1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN LA ROCHE (CH) 2019-09-04 EP disclosed
US-20190144457-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-05-16 US disclosed
EP-3022202-B1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2019-05-15 EP disclosed
US-10183025-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2019-01-22 US disclosed
EP-2935249-B1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2018-12-12 EP disclosed
US-20180319812-A1 HETEROCYCLIC COMPOUND ACTION MEDICAL TECHNOLOGIES, LLC 2018-11-08 US disclosed
US-10053468-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-21 US disclosed
US-20180111941-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-04-26 US disclosed
US-20180021345-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2018-01-25 US disclosed
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US disclosed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
WO-2007002594-A1 COSMETIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 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 (12 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-10654857-B2 Bicyclic compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors ENPP2, LPAR1, LPAR2 PPARA 2566/4885MMP2 324/4885MMP8 479/4885
US-10053468-B2 Heterocyclic compound RORC, RORB, RORA PPARA 91/4885MMP2 4545/4885MMP8 2519/4885
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 PPARA 683/4885MMP2 2013/4885MMP8 4469/4885
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PPARA 271/4885MMP2 1140/4885MMP8 2651/4885
US-20180319812-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA PPARA 91/4885MMP2 4545/4885MMP8 2519/4885
US-20180021345-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI PPARA 4529/4885MMP2 487/4885MMP8 272/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PPARA 271/4885MMP2 1140/4885MMP8 2651/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PPARA 271/4885MMP2 1140/4885MMP8 2651/4885
US-20180111941-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS ENPP2, LPAR1, LPAR2 PPARA 2566/4885MMP2 324/4885MMP8 479/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PPARA 271/4885MMP2 1140/4885MMP8 2651/4885
US-20190144457-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS ENPP2, LPAR1, LPAR2 PPARA 2566/4885MMP2 324/4885MMP8 479/4885
US-10183025-B2 Autotaxin inhibitors ENPP2, SERPINB1, TFPI PPARA 4529/4885MMP2 487/4885MMP8 272/4885

“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.