Sugi Predict

Sugi Predict / Compounds / SCHEMBL435108

SCHEMBL435108

SCHEMBL435108

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.46
▸ CES2 O00748 2/20 0.43
▸ TACR1 P25103 7/20 0.40
▸ PNMT P11086 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ PTPN5 P54829 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ S1PR1 P21453 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
SCHEMBL265045 1.00 PDE2A (0.46) PDE2ACES2TACR1PNMTIDO1
SCHEMBL99424 1.00 PDE2A (0.46) PDE2ACES2TACR1PNMTIDO1
SCHEMBL9386794 0.96 PDE2A (0.43) PDE2ACES2TACR1PNMTIDO1
SCHEMBL23895404 0.92 PDE2A (0.41) PDE2ACES2TACR1PNMTIDO1
SCHEMBL7250729 0.88 PDE2A (0.39) PDE2ACES2TACR1
SCHEMBL5199897 0.87 PDE2A (0.41) PDE2ACES2TACR1PNMTMAPT
SCHEMBL1295024 0.87 PDE2A (0.41) PDE2ACES2TACR1PNMTPTPN5
SCHEMBL12118738 0.87 PDE2A (0.41) PDE2ACES2TACR1PNMTMAPT
SCHEMBL31560879 0.87 PDE2A (0.41) PDE2ACES2TACR1PNMTPTPN5
SCHEMBL15216810 0.87 PDE2A (0.41) PDE2ACES2TACR1PNMTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114405437-B Photoelectrocatalysis device and application thereof 太原师范学院 2023-10-27 — — CN claimed
CN-109516964-B Preparation method of aprepitant intermediate 鲁南制药集团股份有限公司 2022-05-31 — — CN claimed
CN-112666279-B Detection method for purity and impurities of aprepitant intermediate 中山奕安泰医药科技有限公司 2022-05-20 — — CN claimed
CN-114405437-A Photoelectrocatalysis device and application thereof 太原师范学院 2022-04-29 — — CN claimed
CN-113388627-A Reductase LX05 gene, genetic engineering bacterium containing gene and application of gene 湖南科技大学 2021-09-14 — — CN claimed
CN-112666279-A Detection method for purity of aprepitant intermediate and impurities of aprepitant intermediate 中山奕安泰医药科技有限公司 2021-04-16 — — CN claimed
CN-112048538-A Method for preparing (S) - [3, 5-bis (trifluoromethyl) phenyl ] ethanol by using Verticillium terrestris 浙江工业大学 2020-12-08 — — CN claimed
CN-104513837-B Chiral synthesis method of (R) -1- [3, 5-bis (trifluoromethyl) phenyl ] ethanol 鲁南制药集团股份有限公司 2020-01-24 — — CN claimed
US-20190092802-A1 ANTAGONISTS OF NK1 RECEPTORS DERIVED FROM CARBOHYDRATES, PRODUCTION METHOD AND MEDICAL USE CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2019-03-28 — — US claimed
CN-109516964-A A kind of preparation method of Aprepitant intermediate 鲁南制药集团股份有限公司 2019-03-26 — — CN claimed
CN-104513837-A Chiral synthesis method of (R)-1-(3, 5-di (trifluoromethyl) phenyl] ethanol LUNAN PHARM GROUP CORP 2015-04-15 — — CN claimed
CN-103497911-B Application of Chryseobacterium sp. and carbonyl reductase thereof in production of aprepitant chiral intermediate CHENGDU INST BIOLOGY CAS 2015-03-25 — — CN claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 — — US claimed
CN-103773724-A Rhodococcus erythropolis XS1012 and application thereof in preparation of chiral alcohol UNIV ZHEJIANG TECHNOLOGY 2014-05-07 — — CN claimed
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 claimed
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 claimed
CN-102382780-B Microbacterium oxydans and method for preparing chiral bis(trifluoromethyl) phenyl ethanol by using same CHENGDU INST BIOLOGY CAS 2013-02-13 — — CN claimed
CN-102382780-A Microbacterium oxydans and method for preparing chiral bis(trifluoromethyl) phenyl ethanol by using same CHENGDU INST BIOLOGY CAS 2012-03-21 — — CN claimed
WO-2004094353-A1 PROCESS FOR THE MANUFACTURE OF 3,5-BIS(TRIFLUOROMETHYL)PHENYL-1-HYDROXYETHANE AND DERIVATIVE THEREOF MITENI S.P.A. (IT) 2004-11-04 — — WO claimed
WO-2004094358-A1 PROCESS FOR THE MANUFACTURE OF 3,5-BIS(TRIFLUOROMETHYL)ACETOPHENONE MITENI S.P.A. (IT) 2004-11-04 — — WO claimed

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-20190092802-A1 ANTAGONISTS OF NK1 RECEPTORS DERIVED FROM CARBOHYDRATES, PRODUCTION METHOD AND MEDICAL USE MRGPRX2, MRGPRX1, MRGPRX4 PDE2A 2330/4885CES2 2621/4885TACR1 6/4885
US-20130190540-A1 METHOD FOR PREPARING OPTICALLY ACTIVE 1-BROMO-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANE RPP30, BRPF1, ALK PDE2A 4036/4885CES2 1977/4885TACR1 747/4885

“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.