SCHEMBL29954889

SCHEMBL29954889

COc1cc(C(F)(F)F)ccc1B(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.47
MGLL Q99685 2/20 0.44
TRPV1 Q8NER1 1/20 0.42
CYP2C19 P33261 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR2A P28223 1/20 0.41
ORAI1 Q96D31 1/20 0.39
ORAI2 Q96SN7 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39
TRPV6 Q9H1D0 1/20 0.39
LIPE Q05469 1/20 0.39
CFTR P13569 1/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL2463852 1.00 ENPP2 (0.47) ENPP2MGLLTRPV1CYP2C19L3MBTL1
SCHEMBL319585 0.85 ENPP2 (0.47) ENPP2MGLLCYP2C19L3MBTL1RAB9A
SCHEMBL29588618 0.85 ENPP2 (0.47) ENPP2MGLLCYP2C19L3MBTL1RAB9A
SCHEMBL25368443 0.84 MGLL (0.42) MGLLCYP2C19L3MBTL1RAB9AKDM4E
SCHEMBL29957898 0.83 TRPV1 (0.52) ENPP2TRPV1ALDH1A1HPGDHSD17B10
SCHEMBL12118475 0.83 TRPV1 (0.52) ENPP2TRPV1ALDH1A1HPGDHSD17B10
SCHEMBL29954769 0.82 MGLL (0.41) MGLLCYP2C19KDM4EUSP2ALDH1A1
SCHEMBL1042131 0.82 KDM4E (0.39) MGLLCYP2C19L3MBTL1RAB9AKDM4E
SCHEMBL30994957 0.82 KDM4E (0.39) MGLLCYP2C19L3MBTL1RAB9AKDM4E
SCHEMBL29953373 0.81 CYP2C19 (0.51) MGLLCYP2C19L3MBTL1KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025215450-A1 THIAZOLE COMPOUNDS AS SODIUM CHANNEL BLOCKERS SK BIOPHARMACEUTICALS CO., LTD. (KR) 2025-10-16 WO disclosed
CN-120152964-A Triazinone derivatives as NLRP3 inhibitors 豪夫迈·罗氏有限公司 2025-06-13 CN disclosed
EP-4562009-A1 NOVEL COMPOUNDS AC Immune SA (CH) 2025-06-04 EP disclosed
EP-4554945-A1 PYRROLOTRIAZINE AND IMIDAZOTRIAZINE DERIVATIVES AS MODULATORS OF THE NLRP3 INFLAMMASOME PATHWAY AC Immune SA (CH) 2025-05-21 EP disclosed
CN-119907802-A Pyrrolotriazine and imidazotriazine derivatives as modulators of NLRP3 inflammatory small body pathways AC免疫有限公司 2025-04-29 CN disclosed
CN-119894869-A Substituted biaryl kadetoxin-like quinolones having enhanced antiparasitic activity 俄勒冈健康与科学大学 2025-04-25 CN disclosed
EP-4536639-A1 SUBSTITUTED BIARYL ENDOCHIN-LIKE QUINOLONES WITH ENHANCED ANTIPARASITIC ACTIVITY Oregon Health & Science University (US) 2025-04-16 EP disclosed
EP-4493556-A1 NLRP3 MODULATORS Zomagen Biosciences Ltd (US) 2025-01-22 EP disclosed
CN-119301116-A NLRP3 modulators 祖玛珍生物科学有限公司 2025-01-10 CN disclosed
US-20250002470-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ZHEJIANG AIXPLORER BIOTECH CO., LTD. (CN) 2025-01-02 US disclosed
WO-2023239811-A1 SUBSTITUTED BIARYL ENDOCHIN-LIKE QUINOLONES WITH ENHANCED ANTIPARASITIC ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-12-14 WO disclosed
WO-2023178099-A1 NLRP3 MODULATORS ZOMAGEN BIOSCIENCES LTD (US) 2023-09-21 WO disclosed
CN-110612289-B Deuterated benzimidazole compound and medical application thereof 住友制药株式会社 2023-06-30 CN disclosed
WO-2023109912-A1 3, 4-DIHYDROISOQUINOLIN-1 (2H) -ONES DERIVATIVES AS STING ANTAGONISTS AND THE USE THEREOF BEIGENE, LTD. (KY) 2023-06-22 WO disclosed
CN-116102535-A Nitrogen-containing compound, preparation method and application thereof 索智生物科技(浙江)有限公司 2023-05-12 CN disclosed
WO-2023066825-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-27 WO disclosed
CN-107759522-B Carboxylic acid derivative, preparation method thereof and application thereof in medicine 浙江海正药业股份有限公司 2023-04-14 CN disclosed
WO-2023028536-A1 1,2,4-TRIAZINE DERIVATIVES USEFUL AS INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-03-02 WO disclosed
WO-2023028534-A1 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-03-02 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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 (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-20250002470-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF NOD1, NLRP3, NLRP1 ENPP2 3374/4885MGLL 1801/4885TRPV1 354/4885

“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.