SCHEMBL13616882

SCHEMBL13616882

O=Cc1cc(O)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.48
CES2 O00748 1/20 0.39
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
RPS6KA3 P51812 1/20 0.38
JAK3 P52333 1/20 0.38
P4HB P07237 1/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
LCK P06239 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 1/20 0.35
NQO2 P16083 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
SCHEMBL29417675 1.00 PTGS1 (0.48) PTGS1CES2ALDH5A1ABATRPS6KA3
SCHEMBL6856533 0.84 CES2 (0.41) CES2RPS6KA3JAK3POLBALDH1A1
SCHEMBL66819 0.84 CES2 (0.46) CES2RPS6KA3JAK3POLBMAPT
SCHEMBL26070078 0.81 PTGS1 (0.66) PTGS1POLBMAPTLCKALDH1A1
SCHEMBL848186 0.79 GABRA1 (0.60) ALDH5A1ABATLCKALDH1A1
SCHEMBL18002465 0.77 MAPT (0.49) POLBMAPTL3MBTL1IDO1
SCHEMBL18002229 0.77 AHR (0.41) PTGS1CES2RPS6KA3JAK3NQO2
SCHEMBL478113 0.77 KIF11 (0.38) CES2RPS6KA3JAK3POLBALDH1A1
SCHEMBL30070463 0.77 KIF11 (0.38) CES2RPS6KA3JAK3POLBALDH1A1
SCHEMBL69029 0.77 PTGS1 (0.52) PTGS1CES2LCKALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 EP disclosed
US-20250049806-A1 PHARMACEUTICAL COMPOSITION FOR PROVIDING TREATMENT FOR OR PREVENTING ALPORT SYNDROME UBE CORP (JP) 2025-02-13 US disclosed
EP-4431098-A1 PHARMACEUTICAL COMPOSITION FOR PROVIDING TREATMENT FOR OR PREVENTING ALPORT SYNDROME UBE Corporation (JP) 2024-09-18 EP disclosed
US-20240150342-A1 ESTROGEN-RELATED RECEPTOR ALPHA MODULATORS LEAD PHARMA HOLDING B.V. (NL) 2024-05-09 US disclosed
CN-115551846-B 1,4,5, 6-tetrahydropyrimidin-2-amine derivatives UBE株式会社 2024-03-08 CN disclosed
EP-4045503-B1 ESTROGEN-RELATED RECEPTOR ALPHA (ERR-ALPHA) MODULATORS LEAD PHARMA HOLDING BV (NL) 2023-12-06 EP disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
EP-3541820-B1 MAGL INHIBITORS H LUNDBECK AS (DK) 2023-07-05 EP disclosed
EP-3541820-B1 MAGL INHIBITORS H LUNDBECK AS (DK) 2023-07-05 EP disclosed
US-11691975-B2 MAGL inhibitors H. LUNDBECKA/S (DK) 2023-07-04 US disclosed
US-10030020-B2 Spirocycle compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
WO-2018093949-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed
WO-2018093949-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed
WO-2017197192-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2017-11-16 WO disclosed
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-11-16 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
CN-105408325-A Cyanotriazole compounds OTSUKA PHARMA CO LTD 2016-03-16 CN disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 WO disclosed
WO-2009143018-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-11-26 WO 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 (6 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-11691975-B2 MAGL inhibitors MAG, MAGI3, MGLL PTGS1 1069/4885CES2 336/4885ALDH5A1 3220/4885
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, ACSL6 PTGS1 657/4885CES2 596/4885ALDH5A1 744/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 PTGS1 657/4885CES2 596/4885ALDH5A1 744/4885
US-20250049806-A1 PHARMACEUTICAL COMPOSITION FOR PROVIDING TREATMENT FOR OR PREVENTING ALPORT SYNDROME CYP21A2, HSD11B2, MC2R PTGS1 3328/4885CES2 2697/4885ALDH5A1 1483/4885
US-20240150342-A1 ESTROGEN-RELATED RECEPTOR ALPHA MODULATORS ESRRA, ESR2, ESRRB PTGS1 755/4885CES2 2969/4885ALDH5A1 1015/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 PTGS1 2094/4885CES2 314/4885ALDH5A1 224/4885

“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.