SCHEMBL353314

SCHEMBL353314

Cn1cc(C(=O)O)c(C(F)(F)F)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
STING1 Q86WV6 1/20 0.40
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
NTRK1 P04629 1/20 0.36
PKM P14618 2/20 0.36
NPC1 O15118 1/20 0.36
NOTUM Q6P988 1/20 0.36
TEAD1 P28347 1/20 0.36
TEAD4 Q15561 1/20 0.36
TEAD2 Q15562 1/20 0.36
TEAD3 Q99594 1/20 0.36
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 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
SCHEMBL19182678 1.00 GAA (0.56) GAALMNAPOLBSTING1PSEN1
Hydrochloric Acid SCHEMBL8355477 0.98 GAA (0.55) GAALMNAPOLBSTING1PSEN1
SCHEMBL2347739 0.86 GAA (0.47) GAALMNAPOLBSTING1PSEN1
SCHEMBL1194663 0.86 LMNA (0.46) GAALMNAPOLBSTING1PKM
SCHEMBL2903444 0.86 LMNA (0.46) GAALMNAPOLBSTING1PSEN1
SCHEMBL13936345 0.85 POLB (0.58) GAALMNAPOLBSTING1PSEN1
SCHEMBL1195430 0.84 LMNA (0.45) GAALMNAPOLBSTING1PKM
SCHEMBL17350744 0.84 GAA (0.55) GAALMNAPOLBSTING1PSEN1
SCHEMBL4556189 0.84 GAA (0.55) GAALMNAPOLBSTING1PSEN1
SCHEMBL970933 0.84 GAA (0.55) GAALMNAPOLBSTING1PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117887086-A Application of halogen functionalized metal organic framework material in storage and delivery of fluorine-containing electron special gas 华为技术有限公司 2024-04-16 CN claimed
WO-2024074141-A1 POROUS MATERIAL AND APPLICATION THEREOF 华为技术有限公司 2024-04-11 WO claimed
CN-114957124-B 3- (trifluoromethyl) -pyrazole-4-carboxylic ester derivative and preparation method and application thereof 浙江工业大学 2023-11-07 CN claimed
CN-116969930-A Thiazole ring-containing pyrazole carboxamide derivative and preparation method and application thereof 安徽农业大学 2023-10-31 CN claimed
CN-113880762-B Triacylamine derivatives containing 1,8-naphthalimide as well as preparation method and application thereof 河北农业大学 2023-02-21 CN claimed
CN-115260174-A 5- (pyrazole-4-yl) -1,2, 4-oxadiazole substituted benzamide compounds and preparation method and application thereof 浙江工业大学 2022-11-01 CN claimed
CN-114957124-A 3- (trifluoromethyl) -pyrazole-4-carboxylic ester derivative and preparation method and application thereof 浙江工业大学 2022-08-30 CN claimed
CN-114195715-A Process for preparing 1-methyl-3-difluoromethyl-4-pyrazolic acid and 1-methyl-3-trifluoromethyl-4-pyrazolic acid 福建永晶科技股份有限公司 2022-03-18 CN claimed
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
CN-107033083-A A kind of acyl urea compound for containing the trifluoromethyl 1H pyrrazole structures of 1 methyl 3 and its preparation method and application 浙江工业大学 2017-08-11 CN claimed
WO-2010049405-A1 METHOD FOR IMPROVING PLANT HEALTH BASF SE (DE) 2010-05-06 WO claimed
US-20090197935-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-08-06 US claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
EP-2001299-A2 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2008-12-17 EP claimed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
WO-2007110173-A2 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-10-04 WO claimed
EP-1813152-A1 Fungicidal mixture based on 3,4-disubstituted biphenylanilides BASF AKTIENGESELLSCHAFT (DE) 2007-08-01 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed
CN-1245384-C Carboxamides as fungicides in agriculture SYNGENTA PARTICIPATIONS AG (CH) 2006-03-15 CN 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 (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-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A GAA 1403/4885LMNA 2106/4885POLB 4237/4885
US-20090197935-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A GAA 2043/4885LMNA 1736/4885POLB 4165/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 GAA 1455/4885LMNA 4604/4885POLB 1863/4885

“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.