SCHEMBL4528004

SCHEMBL4528004

CC(OS(C)(=O)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.43
TACR3 P29371 3/20 0.37
KCNH2 Q12809 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
SCHEMBL13484088 1.00 TACR1 (0.43) TACR1TACR3KCNH2
SCHEMBL14972564 1.00 TACR1 (0.43) TACR1TACR3KCNH2
SCHEMBL16726992 0.89 TACR1 (0.36) TACR1
SCHEMBL16727030 0.88 RXRA (0.36) TACR1
SCHEMBL16729460 0.86 TACR1 (0.37) TACR1TACR3
SCHEMBL16727026 0.84 RXRA (0.41) TACR1
SCHEMBL22719593 0.83 ADAMTS4 (0.45)
SCHEMBL29504989 0.83 ADAMTS4 (0.45)
SCHEMBL31676274 0.82 CYP3A4 (0.35)
SCHEMBL3058615 0.82 KIF11 (0.41)

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558298-B1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS MERCK SHARP & DOHME LLC (US) 2026-03-11 EP disclosed
US-10968232-B2 Antidiabetic spirochroman compounds MERCK SHARP & DOHME CORP. (US) 2021-04-06 US disclosed
US-20190337961-A1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2019-11-07 US disclosed
EP-3558298-A1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS Merck Sharp & Dohme Corp. (US) 2019-10-30 EP disclosed
WO-2018118670-A1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO disclosed
EP-2850083-B1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE JANSSEN PHARMACEUTICALS INC (US) 2016-04-27 EP disclosed
EP-2578574-B1 OPTICALLY ACTIVE DIBENZYLAMINE DERIVATIVE, AND MANUFACTURING METHOD FOR SAME KOWA CO (JP) 2016-04-27 EP disclosed
US-9272966-B2 Method for preparing optically active 1-bromo-1[3,5-bis(trifluoromethyl)phenyl]ethane KOWA COMPANY, LTD. (JP) 2016-03-01 US disclosed
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 US disclosed
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE CELLZOME LIMITED (GB) 2015-05-21 US disclosed
US-8906895-B2 Optically active dibenzylamine derivative, and method for preparing thereof KOWA COMPANY, LTD. (JP) 2014-12-09 US disclosed
US-20130225814-A1 OPTICALLY ACTIVE DIBENZYLAMINE DERIVATIVE, AND METHOD FOR PREPARING THEREOF KOWA COMPANY, LTD. (JP) 2013-08-29 US disclosed
US-20130190540-A1 METHOD FOR PREPARING OPTICALLY ACTIVE 1-BROMO-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANE KOWA COMPANY, LTD. (JP) 2013-07-25 US disclosed
EP-2597079-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 1-BROMO-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANE Kowa Company Ltd. (JP) 2013-05-29 EP disclosed
EP-2578574-A1 OPTICALLY ACTIVE DIBENZYLAMINE DERIVATIVE, AND MANUFACTURING METHOD FOR SAME Kowa Company, Ltd. (JP) 2013-04-10 EP disclosed
US-7625887-B2 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
US-20060199795-A1 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-07 US disclosed
EP-1591120-A1 RECEPTOR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2005-11-02 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 (6 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-20130190540-A1 METHOD FOR PREPARING OPTICALLY ACTIVE 1-BROMO-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANE RPP30, BRPF1, ALK TACR1 747/4885TACR3 2240/4885KCNH2 257/4885
US-10968232-B2 Antidiabetic spirochroman compounds GPR119, GPR52, GPR55 TACR1 183/4885TACR3 470/4885KCNH2 1671/4885
US-20190337961-A1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS GPR119, GPR52, GPR55 TACR1 183/4885TACR3 470/4885KCNH2 1671/4885
US-20130225814-A1 OPTICALLY ACTIVE DIBENZYLAMINE DERIVATIVE, AND METHOD FOR PREPARING THEREOF PCSK9, LDLR, PCSK7 TACR1 1937/4885TACR3 911/4885KCNH2 4545/4885
US-20060199795-A1 Receptor agonists GPBAR1, GPR35, GPR55 TACR1 49/4885TACR3 112/4885KCNH2 1042/4885
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 TACR1 709/4885TACR3 1606/4885KCNH2 2202/4885

“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.