SCHEMBL2013508

SCHEMBL2013508

Oc1c(Cl)cccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.41
TYK2 P29597 1/20 0.41
P2RX1 P51575 1/20 0.41
P2RX4 Q99571 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
CA2 P00918 2/20 0.39
TSHR P16473 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
PTGS2 P35354 1/20 0.39
HSD11B1 P28845 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LDHA P00338 2/20 0.38
LDHB P07195 2/20 0.38
ALDH1A1 P00352 1/20 0.37
STK10 O94804 1/20 0.36
SLK Q9H2G2 1/20 0.36

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
SCHEMBL396017 0.83 CA2 (0.55) P2RX7CA2L3MBTL1ALDH1A1PDK2
SCHEMBL3992465 0.82 HSD11B1 (0.47) P2RX7HSD11B1ALDH1A1STK10SLK
SCHEMBL29764291 0.81 P2RX7 (0.52) P2RX7TYK2TSHRPTGS2HSD11B1
SCHEMBL312929 0.81 P2RX7 (0.52) P2RX7TYK2TSHRPTGS2HSD11B1
SCHEMBL9892427 0.77 CA2 (0.70) CA2TSHRPTGS2ALDH1A1HSP90AA1
Pentachlorophenol SCHEMBL10456160 0.77 ALDH1A1 (0.40) P2RX7TYK2TSHRHTR3EHTR3B
SCHEMBL8007178 0.76 PDK2 (0.44) CA2HSD11B1ALDH1A1STK10SLK
SCHEMBL5515511 0.76 ALDH1A1 (0.52) CA2TSHRALDH1A1KDM4EHSD17B10
SCHEMBL5966718 0.75 KCNN4 (0.48) P2RX7TYK2TSHRHTR3EHTR3B
SCHEMBL29467226 0.75 KCNN4 (0.48) P2RX7TYK2TSHRHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655456-A Method for efficiently purifying and separating 2-chloro-4-trifluoromethyl phenol 上虞颖泰精细化工有限公司 2023-08-29 CN claimed
EP-3080090-B1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2018-01-31 EP claimed
US-9682977-B2 Bicyclic heteroaryl indole analogues useful as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-06-20 US claimed
US-20160326163-A1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2016-11-10 US claimed
EP-3080090-A1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2016-10-19 EP claimed
CN-105980364-A Bicyclic heteroaryl indole analogs useful as ROR γ modulators 格兰马克药品股份有限公司 2016-09-28 CN claimed
WO-2015087234-A1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-06-18 WO claimed
CN-118459382-A Synthesis method of sulfhydryl phenyl ether compound 上海泰初化工技术有限公司 2024-08-09 CN disclosed
CN-116655456-A Method for efficiently purifying and separating 2-chloro-4-trifluoromethyl phenol 上虞颖泰精细化工有限公司 2023-08-29 CN disclosed
CN-110872243-B Sulfonamide compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-03-31 CN disclosed
CN-110872243-A Sulfonamide compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2020-03-10 CN disclosed
EP-3080090-B1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2018-01-31 EP disclosed
US-9682977-B2 Bicyclic heteroaryl indole analogues useful as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-06-20 US disclosed
WO-2004037810-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 WO disclosed
EP-0949248-B1 6-(NONSUBSTITUTED OR SUBSTITUTED) PHENOXYPICOLINIC ACIDS, PROCESS OF PREPARING THE SAME, AND AGRICULTURAL/HORTICULTURAL GERMICIDES CONTAINING THE SAME KUREHA CHEMICAL IND CO LTD (JP) 2003-10-08 EP disclosed
US-6200933-B1 LOW TOXICITY TO HUMANS AND CATTLE KUREHA KAGAKU KABUSHIKI KAISHA (JP) 2001-03-13 US disclosed
EP-0949248-A1 6-(NONSUBSTITUTED OR SUBSTITUTED) PHENOXYPICOLINIC ACIDS, PROCESS OF PREPARING THE SAME, AND AGRICULTURAL/HORTICULTURAL GERMICIDES CONTAINING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-10-13 EP disclosed
EP-0206951-B1 PROCESS FOR THE PERFLUOROALKYLATION OF AROMATIC DERIVATIVES RHONE-POULENC CHIMIE (FR) 1990-03-21 EP disclosed
US-4731450-A Process for perfluoroalkylation of aromatic derivatives RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-03-15 US disclosed
EP-0206951-A2 Process for the perfluoroalkylation of aromatic derivatives RHONE-POULENC CHIMIE (FR) 1986-12-30 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 (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-20160326163-A1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS RORA, RORB, RORC P2RX7 677/4885TYK2 604/4885P2RX1 705/4885

“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.