SCHEMBL527656

SCHEMBL527656

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
SCHEMBL249799 1.00 CES1 (0.43) CES1KCNN4ENPP2CYP1A2NR1H2
SCHEMBL249800 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 679 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760750-B1 Process for preparing levoketoconazole NURAY CHEMICALS PRIVATE LIMITED (IN) 2023-09-19 US claimed
US-20140275527-A1 Azetidines as MEK Inhibitors for the Treatment of Proliferative Diseases EXELIXIS, INC. (US) 2014-09-18 US claimed
EP-1023284-B1 ANTI-VIRAL PHARMACEUTICAL COMPOSITIONS CONTAINING SATURATED 1,2-DITHIAHETEROCYCLIC COMPOUNDS US GOV HEALTH & HUMAN SERV (US) 2005-11-23 EP claimed
EP-1023284-A2 ANTI-VIRAL PHARMACEUTICAL COMPOSITIONS CONTAINING SATURATED 1,2-DITHIAHETEROCYCLIC COMPOUNDS AND USES THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-08-02 EP claimed
US-6046228-A INCLUDE 1,2-DITHIANE AND 1,2 DITHIOLANE COMPOUNDS, THE RING SULFUR ATOMS MAY BE PRESENT IN THE SULFUR OXIDE OR SULFONE STATE, USEFUL FOR INHIBITING RETROVIRUS REPLICATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-04-04 US claimed
WO-1998001440-A9 ANTI-VIRAL PHARMACEUTICAL COMPOSITIONS CONTAINING SATURATED 1,2-DITHIAHETEROCYCLIC COMPOUNDS AND USES THEREOF 1998-07-16 WO claimed
WO-1998001440-A2 ANTI-VIRAL PHARMACEUTICAL COMPOSITIONS CONTAINING SATURATED 1,2-DITHIAHETEROCYCLIC COMPOUNDS AND USES THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-01-15 WO claimed
EP-4741399-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF President And Fellows Of Harvard College (US) 2026-05-13 EP disclosed
CN-122011012-A (S) -tert-butyl ((2-methyl-7- (trimethylsilyl) hept-6-alkyne-1-yl) oxy) diphenyl silane and synthesis method and application thereof 山东省农业科学院 2026-05-12 CN disclosed
EP-4640279-A2 FUSED TRICYCLIC PYRIDAZINONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2025-10-29 EP disclosed
EP-4634184-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING KINASES VIA UBIQUITIN PROTEOSOME PATHWAY Crossfire Oncology Holding B.V. (NL) 2025-10-22 EP disclosed
EP-3664799-B1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF HARVARD COLLEGE (US) 2025-10-01 EP disclosed
EP-4356969-B1 FUSED TRICYCLIC PYRIDAZINONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2025-07-09 EP disclosed
EP-0362816-A1 Cyclopenteneheptanoic acid derivatives and method of preparation thereof G.D. Searle & Co. (US) 1990-04-11 EP disclosed
EP-0358154-A2 Novel cyclobutane derivative and process for producing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1990-03-14 EP disclosed
US-4898977-A Processes for the preparation of 5-amino-4-hydroxyvaleric acid derivatives CIBA-GEIGY CORPORATION (US) 1990-02-06 US disclosed
EP-0353053-A2 Catalytic process for producing optically active alpha-hydroxycarboxylates Takasago International Corporation (JP) 1990-01-31 EP disclosed
US-4895979-A HYDROGENATION OF GAMMA-HALO-BETA-KETO ESTER, RUTHENIUM-OPTICALLY ACTIVE PHOSPHINE CATALYST, QUATERNIZATION TAKASAGO INTERNATIONAL CORPORATION (JP) 1990-01-23 US disclosed
EP-0319471-A2 Resolution process CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed
WO-1988000190-A1 OPTICALLY ACTIVE DERIVATIVES OF GLYCIDOL MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1988-01-14 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-20140275527-A1 Azetidines as MEK Inhibitors for the Treatment of Proliferative Diseases NRAS, BRAF, KRAS CES1 3869/4885KCNN4 3072/4885ENPP2 604/4885
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.