SCHEMBL1760804

SCHEMBL1760804

CC(C)(C)OC(=O)n1ccc2ccc(CO)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.40
OXER1 Q8TDS5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CD O00329 2/20 0.38
ABL1 P00519 2/20 0.38
EGFR P00533 2/20 0.38
HCK P08631 2/20 0.38
SRC P12931 2/20 0.38
KDR P35968 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
MTOR P42345 2/20 0.38
PIK3CG P48736 2/20 0.38
EPHB4 P54760 2/20 0.38
PRKDC P78527 2/20 0.38
PI4KB Q9UBF8 2/20 0.38

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
SCHEMBL30811811 1.00 NR1H2 (0.40) NR1H2OXER1KDM4EALDH1A1TP53
SCHEMBL1053719 0.89 NR1H2 (0.43) NR1H2OXER1KDM4EALDH1A1TP53
SCHEMBL29658586 0.89 PIK3CD (0.44) NR1H2OXER1PIK3CDABL1EGFR
SCHEMBL1057433 0.89 PIK3CD (0.44) NR1H2OXER1PIK3CDABL1EGFR
SCHEMBL18992998 0.88 HSP90AA1 (0.41) NR1H2OXER1KDM4EALDH1A1TP53
SCHEMBL31370781 0.88 NR1H2 (0.49) NR1H2OXER1KDM4EALDH1A1TP53
SCHEMBL31370682 0.85 NR1H2 (0.42) NR1H2OXER1KDM4EALDH1A1TP53
SCHEMBL29965339 0.84 NR1H2 (0.39) NR1H2OXER1KDM4EALDH1A1TP53
SCHEMBL15231776 0.82 NR1H2 (0.35) NR1H2OXER1KDM4EALDH1A1TP53
SCHEMBL1751204 0.81 USP14 (0.38) NR1H2OXER1KDM4EALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321262-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2021-01-13 EP disclosed
CN-106349217-B Serine/threonine kinase inhibitors 阵列生物制药公司 2020-08-28 CN disclosed
EP-3321262-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2018-05-16 EP disclosed
US-20180127393-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-05-10 US disclosed
US-9708290-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-07-18 US disclosed
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2017-01-26 US disclosed
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-08-11 US disclosed
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-06-02 US disclosed
US-20160122316-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-05-05 US disclosed
US-9259470-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-02-16 US disclosed
US-8697715-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-04-15 US disclosed
US-20130252934-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-09-26 US disclosed
WO-2013130976-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-09-06 WO disclosed
US-7947728-B1 Indole and indazole analogs as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
US-20110112161-A1 INDOLE AND INDAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 US disclosed
EP-1465880-B1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE TO TREAT DISORDERS ASSOCIATED WITH SOMATOSTATINE IPSEN PHARMA (FR) 2009-08-05 EP disclosed
EP-1465880-B1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE TO TREAT DISORDERS ASSOCIATED WITH SOMATOSTATINE IPSEN PHARMA (FR) 2009-08-05 EP disclosed
US-20050154039-A1 5-Sulphanyl-4h-1,2,4-triazole derivatives and their use as medicine IPSEN PHARMA S.A.S. (FR) 2005-07-14 US disclosed
EP-1465880-A1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-10-13 EP disclosed
WO-2003045926-A1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHE ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-06-05 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 (8 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-20110112161-A1 INDOLE AND INDAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, PYGL, GSK3B NR1H2 414/4885OXER1 2440/4885KDM4E 2609/4885
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 NR1H2 1200/4885OXER1 4219/4885KDM4E 1988/4885
US-20050154039-A1 5-Sulphanyl-4h-1,2,4-triazole derivatives and their use as medicine SSTR3, SSTR1, SSTR5 NR1H2 438/4885OXER1 422/4885KDM4E 3288/4885
US-20160122316-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K11, TTBK1 NR1H2 2750/4885OXER1 2266/4885KDM4E 3484/4885
US-20180127393-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K11, TTBK1 NR1H2 2750/4885OXER1 2266/4885KDM4E 3484/4885
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 NR1H2 1200/4885OXER1 4219/4885KDM4E 1988/4885
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 NR1H2 1200/4885OXER1 4219/4885KDM4E 1988/4885
US-20130252934-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K11, TTBK1 NR1H2 2750/4885OXER1 2266/4885KDM4E 3484/4885

“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.