SCHEMBL1307241

SCHEMBL1307241

NC(OC(F)(F)F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
F2 P00734 1/20 0.44
IDO1 P14902 5/20 0.42
TDO2 P48775 5/20 0.42
TACR1 P25103 3/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN4A P35499 2/20 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
SCHEMBL7434034 0.77 DPP4 (0.44) DPP4F2SCN4A
SCHEMBL10654262 0.76 IDO1 (0.48) IDO1TDO2
SCHEMBL2840417 0.73 IDO1 (0.38) DPP4IDO1TDO2
SCHEMBL16618692 0.73 IDO1 (0.38) DPP4F2IDO1TDO2
SCHEMBL518806 0.73 IDO1 (0.38) DPP4F2IDO1TDO2
SCHEMBL7851156 0.73 TACR1 (0.39) IDO1TDO2TACR1
SCHEMBL2061580 0.73 LMNA (0.38) IDO1TDO2
SCHEMBL5196720 0.73 IDO1 (0.38) DPP4F2IDO1TDO2CACNA1C
SCHEMBL7636381 0.73 TSHR (0.44) DPP4F2IDO1TDO2
SCHEMBL27835347 0.72 TAAR1 (0.46) CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105505128-B Near-infrared light response self-repairing coating and preparation method thereof 南京工业大学 2018-05-08 CN claimed
WO-2020192562-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 劲方医药科技(上海)有限公司 2020-10-01 WO disclosed
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 EP disclosed
EP-2760843-A2 SELECTIVE NR2B ANTAGONISTS Bristol-Myers Squibb Company (US) 2014-08-06 EP disclosed
CN-103068830-A Arginase inhibitors and therapeutic uses thereof MARS INC 2013-04-24 CN disclosed
WO-2013048949-A2 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
US-8268894-B2 Compositions and methods for the treatment of infectious diseases THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-09-18 US disclosed
EP-2496579-A1 1-SUBSTITUTED 2-AZABICYCLO [3.1.1]HEPTYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS FOR TREATING NEUROLOGIC DISORDERS Universiteit Gent (BE) 2012-09-12 EP disclosed
US-8202910-B2 Compositions and methods for treatment of infectious disease SEQUELLA, INC. (US) 2012-06-19 US disclosed
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 US disclosed
US-20030036558-A1 Substituted phenoxyacetic acids THE INSTITUTES OF PHARMACEUTICAL DISCOVERY LLC. 2003-02-20 US disclosed
EP-1261327-A2 ADENOSINE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
CN-1364153-A Substituted phenoxyacetic acids INST PHARMACEUTICAL DISCOVERY (US) 2002-08-14 CN disclosed
US-20020107406-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2002-08-08 US disclosed
US-6420426-B1 USED TO TREAT COMPLICATIONS FROM DIABETES MELLITUS THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2002-07-16 US disclosed
EP-1198451-A2 SUBSTITUTED PHENOXYACETIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2002-04-24 EP disclosed
US-6362231-B1 MODULATOR OF PARATHYROID HORMONE; OSTEOPOROSIS NPS PHARMACEUTICALS, INC. 2002-03-26 US disclosed
WO-2001062233-A2 ADENOSINE RECEPTOR MODULATORS F. HOFFMANN LA ROCHE AG (CH) 2001-08-30 WO disclosed
WO-2001000566-A2 SUBSTITUTED PHENOXYACETIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2001-01-04 WO disclosed
EP-0933354-A1 CALCIUM RECEPTOR-ACTIVE COMPOUNDS KIRIN BEER KABUSHIKI KAISHA (JP) 1999-08-04 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 (1 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-20030036558-A1 Substituted phenoxyacetic acids SLC5A2, GPR119, SLC5A1 DPP4 26/4885F2 1570/4885IDO1 1584/4885

“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.