SCHEMBL249799

SCHEMBL249799

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.43
KCNN4 O15554 1/20 0.43
ENPP2 Q13822 2/20 0.38
CYP1A2 P05177 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
PTPN1 P18031 1/20 0.37
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
PTGER1 P34995 2/20 0.35

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
SCHEMBL249800 1.00 CES1 (0.43) CES1KCNN4ENPP2CYP1A2NR1H2
SCHEMBL527656 1.00 CES1 (0.43) CES1KCNN4ENPP2CYP1A2NR1H2
SCHEMBL15895048 0.88 CES1 (0.42) CES1KCNN4ENPP2CYP1A2NR1H2
SCHEMBL236357 0.87 CES1 (0.47) CES1KCNN4ENPP2CYP1A2NR1H2
SCHEMBL246914 0.87 CES1 (0.47) CES1KCNN4ENPP2CYP1A2NR1H2
SCHEMBL236358 0.87 CES1 (0.47) CES1KCNN4ENPP2CYP1A2NR1H2
Hydrochloric Acid SCHEMBL8829227 0.85 CES1 (0.46) CES1KCNN4ENPP2CYP1A2NR1H2
Hydrochloric Acid SCHEMBL4926039 0.85 CES1 (0.46) CES1KCNN4ENPP2CYP1A2NR1H2
Hydrochloric Acid SCHEMBL5595770 0.85 CES1 (0.46) CES1KCNN4ENPP2CYP1A2NR1H2
SCHEMBL7436744 0.84 CES1 (0.44) CES1KCNN4ENPP2CYP1A2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114624351-B Analysis method of (R) - (-) -1-amino-2-propanol residues in pomazolam besylate bulk drug 宜昌人福药业有限责任公司 2024-04-09 CN claimed
US-11760750-B1 Process for preparing levoketoconazole NURAY CHEMICALS PRIVATE LIMITED (IN) 2023-09-19 US claimed
CN-114624351-A Analysis method for (R) - (-) -1-amino-2-propanol residue in benzene sulfonic acid remazolam bulk drug 宜昌人福药业有限责任公司 2022-06-14 CN claimed
CN-103175919-B Gas chromatography-mass spectrometry combined detection method for -NNAL and (R) -NNAL in urine HONGYUN HONGHE TOBACCO GROUP 2014-07-02 CN claimed
CN-103175919-A Gas chromatography-mass spectrometry combined detection method for -NNAL and (R) -NNAL in urine HONGYUN HONGHE TOBACCO GROUP 2013-06-26 CN claimed
US-20250243177-A1 sGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2025-07-31 US disclosed
US-20250207131-A1 MODIFIED RNA AGENTS WITH REDUCED OFF-TARGET EFFECT ALNYLAM PHARMACEUTICALS, INC. (US) 2025-06-26 US disclosed
CN-117964706-B Fifteen-membered cyclic depsipeptide compound and preparation method and application thereof 广西中医药大学 2025-05-20 CN disclosed
US-12275938-B2 Modified RNA agents with reduced off-target effect ALNYLAM PHARMACEUTICALS, INC. (US) 2025-04-15 US disclosed
US-12247203-B2 Modified RNA agents with reduced off-target effect ALNYLAM PHARMACEUTICALS, INC. 2025-03-11 US disclosed
US-20250074901-A1 NOVEL HETEROARYL COMPOUNDS ANGELINI PHARMA S.P.A. (IT) 2025-03-06 US disclosed
US-12109219-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2024-10-08 US disclosed
WO-1991006536-A1 METHOD OF INHIBITING THE TRANSPORT OF L-GLUTAMATE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-05-16 WO disclosed
US-4912042-A Incubation, separation of mixture EASTMAN KODAK COMPANY (US) 1990-03-27 US disclosed
EP-0325971-A2 Process for the preparation of optically pure hydroxyarylalkanoic acids and esters F. HOFFMANN-LA ROCHE AG (CH) 1989-08-02 EP disclosed
EP-0319471-A2 Resolution process CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed
US-4772727-A Method of producing enantiomerically pure R-(+)-alpha-lipoic acid and S-(-)a DEGUSSA (DE) 1988-09-20 US disclosed
EP-0270596-A1 A STEREOCONSERVATIVE SYNTHESIS OF 1-SUBSTITUTED (S)- AND (R)-2-AMINOMETHYLPYRROLIDINES AND INTERMEDIATES THERETO ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1988-06-15 EP disclosed
EP-0261336-A2 Process for the preparation of pure enantiomers of R-(+)-alpha-lipoic acid and S-(-)-alpha-lipoic acid (thioctic acid), and nonene or mesyl derivatives as intermediates therefor ASTA Medica Aktiengesellschaft (DE) 1988-03-30 EP disclosed
WO-1987007271-A1 A STEREOCONSERVATIVE SYNTHESIS OF 1-SUBSTITUTED (S)- AND (R)-2-AMINOMETHYLPYRROLIDINES AND INTERMEDIATES THERETO Astra Läkemedel Aktiebolag (SE) 1987-12-03 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 (4 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-20250074901-A1 NOVEL HETEROARYL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A43, F12 CES1 2017/4885KCNN4 1533/4885ENPP2 3052/4885
US-20250243177-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 CES1 1493/4885KCNN4 938/4885ENPP2 1332/4885
US-12109219-B2 Cannabinoid receptor modulators CNR1, CNR2, GPR18 CES1 1048/4885KCNN4 2652/4885ENPP2 790/4885
US-11760750-B1 Process for preparing levoketoconazole KHK, KYAT3, PLK3 CES1 558/4885KCNN4 3027/4885ENPP2 4440/4885

“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.