SCHEMBL9016848

SCHEMBL9016848

CS(=O)(=O)OCCc1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
IDO1 P14902 2/20 0.45
ALOX5 P09917 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
RECQL P46063 1/20 0.42
DAO P14920 1/20 0.41
GAA P10253 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3597828 0.91 NPSR1 (0.48) NPSR1IDO1ALOX5SLC6A2SLC6A4
SCHEMBL3583043 0.89 NPSR1 (0.47) NPSR1IDO1ALOX5SLC6A2SLC6A4
SCHEMBL16726994 0.86 NPSR1 (0.41) NPSR1IDO1ALOX5SLC6A2SLC6A4
SCHEMBL10623268 0.84 CA1 (0.53) NPSR1IDO1ALOX5ALDH1A1KDM4E
SCHEMBL26181059 0.84 CA1 (0.48) NPSR1IDO1ALOX5SLC6A2SLC6A4
SCHEMBL4679010 0.83 IDO1 (0.56) NPSR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL1960375 0.82 KDM4E (0.46) NPSR1ALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL26181057 0.81 ALDH1A1 (0.49) NPSR1IDO1ALOX5SLC6A2SLC6A4
SCHEMBL20241572 0.80 CYP26A1 (0.40) NPSR1IDO1KDM4EDAOCYP3A4
SCHEMBL7724329 0.80 ALDH1A1 (0.53) NPSR1IDO1ALOX5SLC6A2SLC6A4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240051915-A1 METHOD FOR PREPARING 2-HYDROXY-5-[2-(4-(TRIFLUOROMETHYLPHENYL)ETHYLAMINO)]BENZOIC ACID GNT PHARMA CO., LTD. (KR) 2024-02-15 US disclosed
EP-4261201-A1 METHOD FOR PREPARING 2-HYDROXY-5-[2-(4-(TRIFLUOROMETHYLPHENYL)ETHYLAMINO)]BENZOIC ACID GNT Pharma Co., Ltd (KR) 2023-10-18 EP disclosed
CN-112409201-B Preparation method of 2-hydroxy-5- [2- (4- (trifluoromethylphenyl) ethylamino) ] benzoic acid 浙江普洛家园药业有限公司 2022-10-25 CN disclosed
CN-112409201-A Preparation method of 2-hydroxy-5- [2- (4- (trifluoromethylphenyl) ethylamino) ] benzoic acid 浙江普洛家园药业有限公司 2021-02-26 CN disclosed
US-20150126516-A1 PIPERIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-07 US disclosed
US-20150126516-A1 PIPERIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-07 US disclosed
US-20150126516-A1 PIPERIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-07 US disclosed
EP-2845851-A1 PIPERIDINE COMPOUND AND PEST-CONTROL USE THEREFORE Sumitomo Chemical Company Limited (JP) 2015-03-11 EP disclosed
CN-104302623-A Piperidine compound and pest-control use therefore SUMITOMO CHEMICAL CO 2015-01-21 CN disclosed
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-0714894-A1 3-(1,2,3,6-tetrahydro-(1-alkylenearyl)-4-pyridinyl)- and 3-(1-alkylenearyl)-4-piperidinyl-1h-indoles: new 5-HT1f agonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed
US-5521197-A ANALGESICS USING SEROTONIN ANTAGONIST ELI LILLY AND COMPANY (US) 1996-05-28 US disclosed
EP-0144729-B1 11-Substituted 5H,11H-pyrrolo[2,1-c][1,4]benzoxazepines, a process for their preparation and their use in medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-11-08 EP disclosed
US-4681879-A 11-substituted 5H,11H-pyrrolo[2,1-c][1,4]benzoxazepines as antipsychotic and analgesic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-07-21 US disclosed
US-4608374-A 11-substituted 5H,11H-pyrrolo[2,1-c][1,4]benzoxazepines as antipsychotic and analgesic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-08-26 US disclosed
EP-0144729-A1 11-Substituted 5H,11H-pyrrolo[2,1-c][1,4]benzoxazepines, a process for their preparation and their use in medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-06-19 EP 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-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO NPSR1 2928/4885IDO1 1760/4885ALOX5 193/4885
US-20240051915-A1 METHOD FOR PREPARING 2-HYDROXY-5-[2-(4-(TRIFLUOROMETHYLPHENYL)ETHYLAMINO)]BENZOIC ACID HPD, HAAO, HAO2 NPSR1 4384/4885IDO1 3473/4885ALOX5 550/4885
US-20150126516-A1 PIPERIDINE COMPOUND AND ITS USE IN PEST CONTROL ZYX, CXXC5, CNBP NPSR1 346/4885IDO1 1232/4885ALOX5 1911/4885

“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.