SCHEMBL246914

SCHEMBL246914

CO[C@](C(=O)O)(c1ccccc1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.47
KCNN4 O15554 1/20 0.47
CYP1A2 P05177 2/20 0.42
PTPN1 P18031 1/20 0.41
ENPP2 Q13822 2/20 0.40
CYP2D6 P10635 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
MAPT P10636 3/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL236357 1.00 CES1 (0.47) CES1KCNN4CYP1A2PTPN1ENPP2
SCHEMBL236358 1.00 CES1 (0.47) CES1KCNN4CYP1A2PTPN1ENPP2
Hydrochloric Acid SCHEMBL8829227 0.98 CES1 (0.46) CES1KCNN4CYP1A2PTPN1ENPP2
Hydrochloric Acid SCHEMBL5595770 0.98 CES1 (0.46) CES1KCNN4CYP1A2PTPN1ENPP2
Hydrochloric Acid SCHEMBL4926039 0.98 CES1 (0.46) CES1KCNN4CYP1A2PTPN1ENPP2
SCHEMBL12341938 0.89 CES1 (0.44) CES1KCNN4CYP1A2PTPN1ENPP2
SCHEMBL464445 0.89 CES1 (0.44) CES1KCNN4CYP1A2PTPN1ENPP2
SCHEMBL686435 0.89 CES1 (0.44) CES1KCNN4CYP1A2PTPN1ENPP2
SCHEMBL7436744 0.89 CES1 (0.44) CES1KCNN4CYP1A2PTPN1ENPP2
SCHEMBL8887284 0.87 MAPT (0.48) CES1KCNN4CYP1A2PTPN1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688761-A1 (S)-TIANEPTINE AND USE IN TREATING DISORDERS AND CONDITIONS ASSOCIATED WITH PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR Tonix Pharma Limited (IE) 2026-02-11 EP claimed
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 EP claimed
WO-2024206520-A1 (S)-TIANEPTINE AND USE IN TREATING DISORDERS AND CONDITIONS ASSOCIATED WITH PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR TONIX PHARMACEUTICALS HOLDING CORP. (US) 2024-10-03 WO claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 WO claimed
US-11999741-B2 Process for the synthesis of 6-((3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-3-(tetrahydropyran-4-yl-7H-imidazo[1,5-a]pyrazin-8-one CARDURION PHARMACEUTICALS, INC. (US) 2024-06-04 US claimed
US-11760750-B1 Process for preparing levoketoconazole NURAY CHEMICALS PRIVATE LIMITED (IN) 2023-09-19 US claimed
US-20230122169-A1 NOVEL METHOD FOR PREPARING (-)-CIBENZOLINE SUCCINATE CELLTRION, INC. (KR) 2023-04-20 US claimed
EP-3858816-A1 NOVEL METHOD FOR PREPARING (-)-CIBENZOLINE SUCCINATE Celltrion, Inc. (KR) 2021-08-04 EP claimed
CN-112739686-A Novel process for the preparation of (-) -xylometazoline succinate 赛特瑞恩股份有限公司 2021-04-30 CN claimed
WO-2020067683-A1 NOVEL PROCESS FOR THE PREPARATION OF (+)-CIBENZOLINE SUCCINATE CELLTRION INC. (KR) 2020-04-02 WO claimed
US-9217012-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-12-22 US claimed
EP-1504002-B1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE BETA-AMINOKETONES AND OPTICALLY ACTIVE 1,3-AMINOALCOHOLS SANOFI AVENTIS DEUTSCHLAND (DE) 2012-12-19 EP claimed
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATI (US) 2012-04-12 US claimed
WO-2010118241-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2010-10-14 WO claimed
EP-1299342-B1 METHOD FOR PRODUCING 3,3-DIARYLPROPYLAMINES SANOL ARZNEI SCHWARZ GMBH (DE) 2007-05-02 EP claimed
US-7161008-B2 Optically active β-aminoketones, optically active 1,3-amino alcohols and processes for preparing them Sanofi - Aventis Deutschland GmbH (DE) 2007-01-09 US claimed
US-6809225-B2 BY HYDROCARBONYLATION/HYDROFORMYLATION WITH SUBSEQUENT REDUCTIVE AMINATION SCHWARZ PHARMA AG (DE) 2004-10-26 US claimed
US-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-09 US claimed
US-20040034080-A1 Method for producing 3,3-diarylpropylamines UCB PHARMA GMBH (DE) 2004-02-19 US claimed
US-20040030145-A1 Optically active B-aminoketones, optically active 1,3-amino alcohols and processes for preparing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 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 (7 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-20040034080-A1 Method for producing 3,3-diarylpropylamines HNMT, CYP1A1, HRH3 CES1 2397/4885KCNN4 951/4885CYP1A2 14/4885
US-11999741-B2 Process for the synthesis of 6-((3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-3-(tetrahydropyran-4-yl-7H-imidazo[1,5-a]pyrazin-8-one CDK8, PRMT8, RPS8 CES1 3892/4885KCNN4 4275/4885CYP1A2 908/4885
US-20040030145-A1 Optically active B-aminoketones, optically active 1,3-amino alcohols and processes for preparing them ORMDL3, OR10J3, BCAT2 CES1 1850/4885KCNN4 3505/4885CYP1A2 429/4885
US-20230122169-A1 NOVEL METHOD FOR PREPARING (-)-CIBENZOLINE SUCCINATE SDHA, SDHB, ALDH5A1 CES1 901/4885KCNN4 3356/4885CYP1A2 309/4885
US-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 CES1 1426/4885KCNN4 4839/4885CYP1A2 2110/4885
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS CES1 719/4885KCNN4 3721/4885CYP1A2 4223/4885
US-11760750-B1 Process for preparing levoketoconazole KHK, KYAT3, PLK3 CES1 558/4885KCNN4 3027/4885CYP1A2 209/4885

“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.