Sugi Predict

Sugi Predict / Compounds / SCHEMBL2172447

SCHEMBL2172447

SCHEMBL2172447

CC(O)Cc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.61
▸ HTT P42858 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CPA1 P15085 1/20 0.41
▸ TAAR1 Q96RJ0 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40

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
SCHEMBL14520625 1.00 TRPA1 (0.61) TRPA1HTTMAOAMAOBTDP1
SCHEMBL23347630 1.00 TRPA1 (0.61) TRPA1HTTMAOAMAOBTDP1
SCHEMBL196800 0.87 TAAR1 (0.48) TRPA1CYP2C9TAAR1
SCHEMBL28702008 0.82 TRPA1 (0.57) TRPA1HTTMAOAMAOBHPGD
SCHEMBL17892900 0.82 TRPA1 (0.57) TRPA1HTTMAOAMAOBHPGD
SCHEMBL23347539 0.82 TRPA1 (0.62) TRPA1HTTMAOAMAOBHPGD
SCHEMBL17892897 0.82 TRPA1 (0.57) TRPA1HTTMAOAMAOBHPGD
SCHEMBL1336531 0.80 ALDH1A1 (0.46) TRPA1HTTCYP2D6CPA1TAAR1
SCHEMBL21882278 0.80 TRPA1 (0.54) TRPA1MAOAMAOBIDO1LOXL2
SCHEMBL9148931 0.80 PTGS1 (0.52) CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111057725-B Use of ketoreductase for preparing (S) -1, 1-di (4-fluorophenyl) -2-propanol and preparation method thereof 弈柯莱生物科技(上海)股份有限公司 2023-08-18 — — CN claimed
CN-111057725-A Application of ketoreductase in preparation of (S) -1, 1-di (4-fluorophenyl) -2-propanol and preparation 上海弈柯莱生物医药科技有限公司 2020-04-24 — — CN claimed
WO-2006013399-A1 PHARMACEUTICAL INTERMEDIATES AND A PROCESS FOR THE PREPARATION THEREOF EGIS Gyógyszergyár Rt. (HU) 2006-02-09 — — WO claimed
WO-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 — — WO disclosed
CN-114308121-B Phosphine oxide catalyst and preparation method and application thereof 浙江工业大学 2024-02-23 — — CN disclosed
CN-111057725-B Use of ketoreductase for preparing (S) -1, 1-di (4-fluorophenyl) -2-propanol and preparation method thereof 弈柯莱生物科技(上海)股份有限公司 2023-08-18 — — CN disclosed
CN-111057725-B Use of ketoreductase for preparing (S) -1, 1-di (4-fluorophenyl) -2-propanol and preparation method thereof 弈柯莱生物科技(上海)股份有限公司 2023-08-18 — — CN disclosed
CN-111057725-B Use of ketoreductase for preparing (S) -1, 1-di (4-fluorophenyl) -2-propanol and preparation method thereof 弈柯莱生物科技(上海)股份有限公司 2023-08-18 — — CN disclosed
CN-112358379-B Preparation method of optically pure S-shaped 1,1-bis- (4-fluorophenyl) -2-propanol 南方科技大学 2023-03-28 — — CN disclosed
CN-112358379-B Preparation method of optically pure S-shaped 1,1-bis- (4-fluorophenyl) -2-propanol 南方科技大学 2023-03-28 — — CN disclosed
CN-114308121-A Phosphine oxide catalyst and preparation method and application thereof 浙江工业大学 2022-04-12 — — CN disclosed
US-20090197864-A1 Furo- and Thieno [3,2-c] Pyridines OSI PHARMACEUTICALS, INC. 2009-08-06 — — US disclosed
US-20090197864-A1 Furo- and Thieno [3,2-c] Pyridines OSI PHARMACEUTICALS, INC. 2009-08-06 — — US disclosed
EP-1094816-B1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-12-10 — — EP disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 — — US disclosed
EP-1724267-A1 PYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2006-11-22 — — EP disclosed
WO-2006013399-A1 PHARMACEUTICAL INTERMEDIATES AND A PROCESS FOR THE PREPARATION THEREOF EGIS Gyógyszergyár Rt. (HU) 2006-02-09 — — WO disclosed
CN-1391563-A Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2003-01-15 — — CN disclosed
EP-1180100-A2 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS Merck Frosst Canada & Co. (CA) 2002-02-20 — — EP disclosed
WO-2000064874-A2 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2000-11-02 — — 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 (2 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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A TRPA1 122/4885HTT 1924/4885MAOA 423/4885
US-20090197864-A1 Furo- and Thieno [3,2-c] Pyridines RET, MET, ERBB2 TRPA1 3164/4885HTT 4609/4885MAOA 3946/4885

“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.