SCHEMBL503596

SCHEMBL503596

O=C(O)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
RORC P51449 6/20 0.48
PTGS2 P35354 1/20 0.43
ALB P02768 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ITGA4 P13612 2/20 0.41
ITGB1 P05556 1/20 0.41
RORB Q92753 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
STIM1 Q13586 1/20 0.41
ORAI1 Q96D31 1/20 0.41
KCNN4 O15554 2/20 0.41
TAS2R14 Q9NYV8 2/20 0.41

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
SCHEMBL21518072 0.94 CES2 (0.48) CES2CES1RORCPTGS2ALB
SCHEMBL504216 0.87 CA12 (0.46) ALDH1A1HPGDTAS2R14
SCHEMBL23908702 0.83 ALDH1A1 (0.51) CES1ALDH1A1HPGDTAS2R14
SCHEMBL30313345 0.82 CES2 (0.48) CES2CES1RORCPTGS2RORB
SCHEMBL716995 0.82 CES2 (0.48) CES2CES1RORCPTGS2RORB
SCHEMBL18131338 0.82 CES2 (0.48) CES2CES1ALBALDH1A1KCNN4
SCHEMBL476764 0.82 CES2 (0.48) CES2CES1RORCPTGS2CYP3A4
SCHEMBL3708513 0.82 CES2 (0.48) CES2CES1RORCPTGS2ITGA4
SCHEMBL19585735 0.82 DAO (0.42) CES2CES1RORCALDH1A1HPGD
Hydrochloric Acid SCHEMBL4371024 0.81 CES2 (0.47) CES2CES1RORCPTGS2ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 EP claimed
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 WO claimed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
CN-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 CN claimed
CN-112679374-A Preparation method of 2-fluoro-6- (trifluoromethyl) benzamide 湖南复瑞生物医药技术有限责任公司 2021-04-20 CN claimed
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP claimed
CN-111909040-A Preparation method of Elagolix intermediate 2-fluoro-6-trifluoromethylbenzylamine 南京莱克施德药业有限公司 2020-11-10 CN claimed
CN-107681052-B Main group metal complexes as p-dopants for organic electronic matrix materials 西门子公司 2020-03-24 CN claimed
US-10483466-B2 P-doping cross-linking of organic hole transporters SIEMENS AKTIENGESELLSCHAFT (DE) 2019-11-19 US claimed
WO-2010118241-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2010-10-14 WO claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
US-3985799-A 2-Fluoro-6-trifluoromethylbenzoic acid SANDOZ, INC. (US) 1976-10-12 US 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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 CES2 1598/4885CES1 3489/4885RORC 1332/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 CES2 2351/4885CES1 3786/4885RORC 1527/4885

“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.