SCHEMBL983755

SCHEMBL983755

CCOC(=O)c1cccc(O)c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.62
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
CA7 P43166 3/20 0.62
CA9 Q16790 3/20 0.62
CA14 Q9ULX7 3/20 0.62
ALDH1A1 P00352 2/20 0.62
HSD17B10 Q99714 2/20 0.62
TSHR P16473 1/20 0.61
G6PD P11413 1/20 0.55
CASP7 P55210 1/20 0.55
CASP6 P55212 1/20 0.55
CDC25B P30305 4/20 0.54
MAOA P21397 2/20 0.51
MAOB P27338 1/20 0.51
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL31091521 1.00 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL27424975 0.89 TSHR (0.70) CA12CA1CA2CA7CA9
SCHEMBL16154027 0.87 ALDH1A1 (0.64) CA12CA1CA2CA7CA9
SCHEMBL27570718 0.86 ALDH1A1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL5808886 0.84 ALDH1A1 (0.64) CA12CA1CA2CA7CA9
SCHEMBL2925689 0.84 ALDH1A1 (0.74) CA12CA1CA2CA7CA9
SCHEMBL31091519 0.84 ALDH1A1 (0.66) ALDH1A1HSD17B10TSHRG6PDCASP7
SCHEMBL4940442 0.83 ALDH1A1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL3458043 0.83 ALDH1A1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL27424971 0.83 HSD17B10 (0.62) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
EP-3109239-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-12-28 EP disclosed
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
US-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 WO disclosed
US-20060205744-A1 Fused heterocyclic derivatives as ppar modulators ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-14 US disclosed
EP-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
EP-0693064-B1 HYDROPHOBIC AMINOCOUMARIN DERIVATIVES AND THEIR USE AS PROTEOLYTIC ENZYME SUBSTRATES OR IN THE PREPARATION OF SUCH SUBSTRATES SERATEC SARL (FR) 1998-01-14 EP disclosed
EP-0693064-A1 HYDROPHOBIC AMINOCOUMARIN DERIVATIVES AND THEIR USE AS PROTEOLYTIC ENZYME SUBSTRATES OR IN THE PREPARATION OF SUCH SUBSTRATES Seratec (FR) 1996-01-24 EP disclosed
WO-1994024118-A1 HYDROPHOBIC AMINOCOUMARIN DERIVATIVES AND THEIR USE AS PROTEOLYTIC ENZYME SUBSTRATES OR IN THE PREPARATION OF SUCH SUBSTRATES SERATEC (FR) 1994-10-27 WO disclosed
US-4064136-A FROM A NITRILE, AN ALCOHOL AND ORTHO-SUBSTITUTED AROMATIC AMINE CIBA-GEIGY AG (CH) 1977-12-20 US disclosed
US-3972890-A ACID CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 US 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 (3 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-20060205744-A1 Fused heterocyclic derivatives as ppar modulators PPARA, PPARG, PPARD CA12 4110/4885CA1 4102/4885CA2 2952/4885
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE ATAD5, ATP1A1, TIPRL CA12 4742/4885CA1 4302/4885CA2 1778/4885
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS ABAT, AAK1, AGXT CA12 3490/4885CA1 3693/4885CA2 519/4885

“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.