SCHEMBL119701

SCHEMBL119701

FC(F)(F)c1cccc(Cl)n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.64
TSHR P16473 1/20 0.64
P2RX7 Q99572 1/20 0.43
NOTUM Q6P988 1/20 0.42
IDH1 O75874 9/20 0.41
IDH2 P48735 4/20 0.41
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
ADRB1 P08588 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.37
NT5E P21589 1/20 0.37

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
SCHEMBL29447907 1.00 CYP3A4 (0.64) CYP3A4TSHRP2RX7NOTUMIDH1
Bicarbonate SCHEMBL28211551 0.87 CYP3A4 (0.55) CYP3A4TSHRP2RX7PGK1PGK2
SCHEMBL28202386 0.87 CYP3A4 (0.50) CYP3A4TSHRP2RX7GABRA1GABRG2
SCHEMBL17141411 0.84 CYP3A4 (0.68) CYP3A4TSHRIDH1IDH2PGK1
SCHEMBL17141418 0.84 CYP3A4 (0.68) CYP3A4TSHRIDH1IDH2PGK1
SCHEMBL1274473 0.82 CYP3A4 (0.46) CYP3A4TSHRIDH1IDH2
SCHEMBL19047172 0.82 CYP3A4 (0.59) CYP3A4TSHRIDH1IDH2PGK1
SCHEMBL1690192 0.82 CYP3A4 (0.59) CYP3A4TSHRIDH1IDH2PGK1
SCHEMBL3295150 0.82 P2RX7 (0.50) CYP3A4TSHRP2RX7NOTUMIDH1
SCHEMBL24850052 0.79 TSHR (0.55) CYP3A4TSHRIDH1IDH2PGK1

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 1044 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041107-A Gypsum coated slow release fertilizer for improving coating performance and preparation method and application thereof 中国科学院南京土壤研究所 2023-05-02 CN claimed
WO-2022130403-A1 NEW QUATERNARY AMMONIUM SALTS FOR TRIFLUOROMETHYLATION AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2022-06-23 WO claimed
CN-111517872-A Gypsum coated slow release fertilizer and preparation method and application thereof 中国科学院南京土壤研究所 2020-08-11 CN claimed
CN-111151248-A Method for catalyzing heterocyclic halogen-containing organic matter hydrogenation dehalogenation by using supported metal oxide 浙江大学 2020-05-15 CN claimed
US-10227303-B2 Process for the preparation of halosubstituted trifluoromethylpyridines SRF LIMITED (IN) 2019-03-12 US claimed
CN-108017574-B A kind of method of the chloro- 2,4,6- trifluoromethyl pyridine continuous production of fluroxypramide intermediate 3,5- bis- 江苏中旗科技股份有限公司 2019-03-08 CN claimed
CN-107759513-A Preparation method of 2-hydroxy-6-trifluoromethylpyridine 山东汇盟生物科技有限公司 2018-03-06 CN claimed
CN-106866512-A A kind of preparation method of the trifluoromethyl pyridine of 2 hydroxyl 6 常州沃腾化工科技有限公司 2017-06-20 CN claimed
WO-2015151116-A2 PROCESS FOR PRODUCING 2-FLUORO-6-(TRIFLUOROMETHYL)PYRIDINE COMPOUNDS JUBILANT LIFE SCIENCES LIMITED (IN) 2015-10-08 WO claimed
CN-101945581-B Herbicidal compounds SYNGENTA LTD 2015-01-07 CN claimed
EP-0966441-B1 PROCESS FOR PREPARING 2-HYDROXY-6-TRIFLUOROMETHYLPYRIDINE SYNGENTA LTD (GB) 2002-12-11 EP claimed
EP-1109788-A1 CHEMICAL PROCESS FOR PREPARING 2-HYDROXY-6-TRIFLUOROMETHYLPYRIDINE Syngenta Limited (GB) 2001-06-27 EP claimed
US-6143899-A REACTING 2-FLUORO-6-TRIFLUOROMETHYLPYRIDINE OR A MIXTURE OF 2-FLUORO-6-TRIFLUOROMETHYLPYRIDINE AND 2-CHLORO-6-TRIFLUOROMETHYLPYRIDINE WITH AN ALKALI METAL HYDROXIDE, HEATING AND ACIDIFYING THE PRODUCT FORMED ZENECA LIMITED (GB) 2000-11-07 US claimed
WO-2000014068-A1 CHEMICAL PROCESS FOR PREPARING 2-HYDROXY-6-TRIFLUOROMETHYLPYRIDINE SYNGENTA LIMITED (GB) 2000-03-16 WO claimed
EP-0966441-A1 PROCESS FOR PREPARING 2-HYDROXY-6-TRIFLUOROMETHYLPYRIDINE ZENECA LIMITED (GB) 1999-12-29 EP claimed
US-5973159-A SOLVENT-FREE HYDROLYSIS FOR THE PREPARATION OF 2-HYDROXY-6-TRIFLUOROMETHYLPYRIDINE IN A SEALED VESSEL AT AN ELEVATED TEMPERATURE ZENECA LIMITED (GB) 1999-10-26 US claimed
WO-1998040355-A1 PROCESS FOR PREPARING 2-HYDROXY-6-TRIFLUOROMETHYLPYRIDINE ZENECA LIMITED (GB) 1998-09-17 WO claimed
EP-0092117-B1 PROCESS FOR PRODUCING CHLORONICOTINIC ACID COMPOUNDS ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-07-15 EP claimed
US-4563529-A VAPOR PHASE CATALYTIC FLUORINATION OF PICOLINES OR LUTIDINES ISHIHARA SANGYO KAISHA LTD. (JP) 1986-01-07 US claimed
EP-0042696-B1 PROCESS FOR PRODUCING TRIFLUOROMETHYLPYRIDINES ISHIHARA SANGYO KAISHA LTD. (JP) 1983-11-16 EP 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 (1 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-10227303-B2 Process for the preparation of halosubstituted trifluoromethylpyridines CYP4F3, CYP4F2, CYP4X1 CYP3A4 8/4885TSHR 863/4885P2RX7 549/4885

“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.