SCHEMBL816701

SCHEMBL816701

O=C(O)CSCC(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.55
HIF1A Q16665 1/20 0.55
CYP2C19 P33261 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 2/20 0.37
POLB P06746 2/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
BLM P54132 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.34
BHMT Q93088 1/20 0.33
PHGDH O43175 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
Hydrochloric Acid SCHEMBL11576722 0.97 CYP2D6 (0.52) CYP2D6HIF1ACYP2C19L3MBTL1HSD17B10
SCHEMBL11519676 0.79 MEN1 (0.38) CYP2C19HSD17B10POLBGMNNTP53
SCHEMBL979835 0.77 CES2 (0.40) MAPTALDH1A1TDP1CYP1A2CES1
SCHEMBL11573242 0.77
SCHEMBL11232760 0.77
SCHEMBL16650528 0.75 LMNA (0.59) CYP2D6HIF1ACYP2C19HSD17B10BHMT
SCHEMBL28157572 0.75 CYP2D6 (0.50) CYP2D6HIF1ACYP2C19HSD17B10POLB
SCHEMBL3343830 0.75 CYP2D6 (0.50) CYP2D6HIF1ACYP2C19L3MBTL1HSD17B10
SCHEMBL2034998 0.73 CYP2D6 (1.00) CYP2D6HIF1ACYP2C19HSD17B10POLB
SCHEMBL144220 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3772962-B9 MOLECULES HAVING PESTICIDAL UTILITY, COMPOSITIONS AND PEST CONTROLLING PROCESS RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-07-19 EP disclosed
EP-3772962-B1 MOLECULES HAVING PESTICIDAL UTILITY, COMPOSITIONS AND PEST CONTROLLING PROCESS RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-05-10 EP disclosed
EP-3772962-A1 MOLECULES HAVING PESTICIDAL UTILITY, COMPOSITIONS AND PEST CONTROLLING PROCESS RELATED THERETO Dow AgroSciences LLC (US) 2021-02-17 EP disclosed
US-20210015098-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 US disclosed
CN-111698906-A Molecules having pesticidal utility, compositions and pest control methods related thereto 美国陶氏益农公司 2020-09-22 CN disclosed
WO-2019194982-A1 MOLECULES HAVING PESTICIDAL UTILITY, COMPOSITIONS AND PEST CONTROLLING PROCESS RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-10-10 WO disclosed
EP-2941246-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2015-11-11 EP disclosed
WO-2014107535-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2014-07-10 WO disclosed
US-8067625-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-29 US disclosed
US-8067625-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-29 US disclosed
US-20090312432-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
US-4187375-A CYCLIZATION OF AN AZETIDINONE-1-HYDROXYACETATE; ANTIBIOTIC INTERMEDIATES SMITHKLINE CORPORATION (US) 1980-02-05 US disclosed
US-4089956-A 7-Acylamino-8-oxo-3-oxa-1-azabicyclo[4.2.0]octane-2-carboxylic acid derivatives and bactericidal compositions and use thereof SMITHKLINE CORPORATION (US) 1978-05-16 US disclosed
US-4075338-A BACTERICIDES SMITHKLINE CORPORATION (US) 1978-02-21 US disclosed
US-4013765-A COMPOSITIONS AND METHODS FOR TREATING BACTERIAL INFECTIONS WITH SUBSTITUTED ACETAMIDOCEPHALOSPORINS SMITHKLINE CORPORATION (US) 1977-03-22 US disclosed
US-3998819-A ANTIBACTERIAL AGENTS SMITHKLINE CORPORATION (US) 1976-12-21 US disclosed
US-3998818-A ANTIBACTERIAL AGENTS SMITHKLINE CORPORATION (US) 1976-12-21 US disclosed
US-3957770-A BACTERICIDES SMITHKLINE CORPORATION (US) 1976-05-18 US 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 (3 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-20090312432-A1 FLUOROSURFACTANTS SGMS2, FASN, SGMS1 CYP2D6 3329/4885HIF1A 2436/4885CYP2C19 3708/4885
US-20090264525-A1 FLUOROSURFACTANTS FASN, FFAR3, SGMS2 CYP2D6 2709/4885HIF1A 1816/4885CYP2C19 3004/4885
US-20210015098-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD CYP2D6 2088/4885HIF1A 4684/4885CYP2C19 950/4885

“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.