SCHEMBL1775557

SCHEMBL1775557

FC(F)(F)c1ccc(C(F)(F)F)c(CBr)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.46
SRD5A2 P31213 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
IDO1 P14902 2/20 0.41
MPO P05164 1/20 0.38
PTPN1 P18031 1/20 0.37
GSK3B P49841 1/20 0.37
CYP26A1 O43174 1/20 0.36
PIEZO1 Q92508 1/20 0.36
DAO P14920 1/20 0.36
PTPN5 P54829 1/20 0.35
PDE2A O00408 3/20 0.35
POLQ O75417 1/20 0.35
QPCT Q16769 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL627838 0.88 DAO (0.46) CES2IDO1PTPN1GSK3BDAO
SCHEMBL1018316 0.83 IDO1 (0.43) CES2CYP3A4CYP2D6IDO1PTPN1
SCHEMBL30149710 0.83 IDO1 (0.43) CES2CYP3A4CYP2D6IDO1PTPN1
SCHEMBL5252357 0.83 CES2 (0.48) CES2SRD5A2CYP3A4CYP2D6IDO1
SCHEMBL8883258 0.81 CES2 (0.47) CES2SRD5A2CYP3A4CYP2D6IDO1
SCHEMBL268985 0.79 IDO1 (0.58) IDO1PTPN1GSK3BDAOPTPN5
SCHEMBL2000882 0.79 CES2 (0.50) CES2SRD5A2CYP3A4CYP2D6IDO1
SCHEMBL18149164 0.79 KDM1A (0.40) IDO1PTPN1
SCHEMBL475304 0.79 IDO1 (0.41) CES2CYP3A4CYP2D6IDO1PTPN1
SCHEMBL75416 0.79 IDO1 (0.46) IDO1

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 103 patents — showing the first 20. 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
EP-2958562-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC (US) 2025-09-10 EP disclosed
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 EP disclosed
CN-113912512-B Preparation method of vinyl cyclopropyl ethyl formate compound 上海合全药业股份有限公司 2024-06-21 CN disclosed
CN-117965062-A Modified nano copper antifouling paint and preparation method thereof 广东美涂士建材股份有限公司 2024-05-03 CN disclosed
EP-3455224-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AG (DE) 2024-03-27 EP disclosed
EP-3436003-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC (US) 2023-08-23 EP disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
EP-3177282-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-06 EP disclosed
CN-109476658-B Substituted 5,6,7, 8-tetrahydro [1,2,4] triazolo [4,3-a ] pyridin-3 (2H) -ones and 2,5,6, 7-tetrahydro-3H-pyrrolo [2,1-c ] [1,2,4] triazol-3-ones and uses thereof 拜耳公司 2021-08-10 CN disclosed
EP-1551832-A1 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2005-07-13 EP disclosed
EP-1513828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS Biovitrum AB (SE) 2005-03-16 EP disclosed
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO disclosed
US-20040152903-A1 6-chloro-3-pyridylmethylpropylamine derivatives, preparation process thereof and bactericides KUREHA CORPORATION (JP) 2004-08-05 US disclosed
US-6727249-B2 FOR THERAPY AND PROPHYLAXIS OF PAIN OR INFLAMMATION, MIGRAINE, EMESIS, POSTHERPETIC NEURALGIA, DEPRESSION OR ANXIETY MERCK SHARP & DOHME LTD. (GB) 2004-04-27 US disclosed
WO-2004031185-A1 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-04-15 WO disclosed
US-20040024210-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-05 US disclosed
EP-1375483-A1 6-CHLORO-3-PYRIDYLMETHYLPROPYLAMINE DERIVATIVES, PREPARATION PROCESS THEREOF AND BACTERICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-01-02 EP disclosed
WO-2004000828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS BIOVITRUM AB (SE) 2003-12-31 WO disclosed
US-20020193402-A1 Azabicyclic ether derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2002-12-19 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-20040024210-A1 New compounds SULT1E1, SULT2A1, SULT1A1 CES2 44/4885SRD5A2 409/4885CYP3A4 1232/4885
US-20020193402-A1 Azabicyclic ether derivatives and their use as therapeutic agents CXCR1, OPRM1, GRM1 CES2 39/4885SRD5A2 1026/4885CYP3A4 1427/4885
US-20040152903-A1 6-chloro-3-pyridylmethylpropylamine derivatives, preparation process thereof and bactericides PGLS, TLR6, UROD CES2 1973/4885SRD5A2 3629/4885CYP3A4 1336/4885

“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.