Sugi Predict

Sugi Predict / Compounds / SCHEMBL294902

SCHEMBL294902

SCHEMBL294902

O=CC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.61
▸ CES1 P23141 2/20 0.61
▸ CYP1A1 P04798 7/20 0.56
▸ CYP1B1 Q16678 7/20 0.56
▸ MAOB P27338 2/20 0.56
▸ P4HB P07237 1/20 0.54
▸ SRD5A2 P31213 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ GSK3B P49841 2/20 0.52
▸ PTPN1 P18031 2/20 0.52
▸ NR4A1 P22736 1/20 0.52
▸ NR4A2 P43354 1/20 0.52
▸ NR4A3 Q92570 1/20 0.52

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
Water SCHEMBL27244063 0.98 CES2 (0.59) CES2CES1CYP1A1CYP1B1MAOB
SCHEMBL1350180 0.81 CES2 (0.59) CES2CES1CYP1A1CYP1B1MAOB
SCHEMBL7228800 0.81 CES2 (0.59) CES2CES1CYP1A1CYP1B1MAOB
SCHEMBL222221 0.81 ALDH1A1 (0.74) CYP1B1MAOBALDH1A1MAPK1TDP1
Water SCHEMBL11074870 0.80 MAOB (0.68) CYP1A1CYP1B1MAOBPTPN1NR4A2
SCHEMBL1483303 0.78 ALDH1A1 (0.63) SRD5A2ALDH1A1MAPK1TDP1
SCHEMBL8780342 0.78 CES2 (0.61) CES2CES1MAOBALDH1A1MAPK1
Water SCHEMBL11592742 0.78 ALDH1A1 (0.70) CYP1B1MAOBALDH1A1MAPK1TDP1
Water SCHEMBL11592745 0.78 ALDH1A1 (0.70) CYP1B1MAOBALDH1A1MAPK1TDP1
SCHEMBL3563640 0.78 CYP1A1 (0.61) CES2CES1CYP1A1CYP1B1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011526813-A — — 2011-10-20 — — JP claimed
EP-2310068-A2 NANOCLAY SORBENTS FOR DIALYSIS DEVICE Baxter International Inc. (US) 2011-04-20 — — EP claimed
WO-2010002830-A2 NANOCLAY SORBENTS FOR DIALYSIS DEVICE BAXTER INTERNATIONAL INC. (US) 2010-01-07 — — WO claimed
US-20100004588-A1 NANOCLAY SORBENTS FOR DIALYSIS BAXTER INTERNATIONAL INC. (US) 2010-01-07 — — US claimed
US-12509429-B2 Hydroxybenzamide derivatives and methods of use in treating diabetes THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2025-12-30 — — US disclosed
WO-2024210572-A1 NOVEL IMIDAZOLE DERIVATIVE AND USE THEREOF 주식회사 펠레메드 2024-10-10 — — WO disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 — — US disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 — — US disclosed
WO-2024059845-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-03-21 — — WO disclosed
US-20230348396-A1 HYDROXYBENZAMIDE DERIVATIVES AND METHODS OF USE IN TREATING DIABETES THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2023-11-02 — — US disclosed
US-20210353840-A1 NANOCLAY SORBENT METHODS FOR USE WITH DIALYSIS VANTIVE US HEALTHCARE LLC 2021-11-18 — — US disclosed
CN-107406350-B Novel compound and organic light-emitting element comprising same 株式会社LG化学 2021-04-13 — — CN disclosed
US-7576115-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-18 — — US disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 — — US disclosed
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 — — US disclosed
CN-1798739-A 3-alkylidenehydrazino substituted heteroaryl compounds as thrombopoietin receptor activators NISSAN CHEMICAL IND LTD (JP) 2006-07-05 — — CN disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 — — US disclosed
WO-2002085369-A1 INHIBITORS OF ANTHRAX LETHAL FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS, INC. (US) 2002-10-31 — — WO disclosed
US-6436933-B1 1-HYDROXY-3-(2-METHYLPROPYL)-5,6-DIPHENYLHYDROPYRAZIN-2-ONE STRUCTURAL BIOINFORMATICS INC. 2002-08-20 — — US disclosed
US-4046763-A INTERMEDIATE FOR ULTRAVIOLET LIGHT ABSORBERS MCNEIL LABORATORIES, INCORPORATED (US) 1977-09-06 — — 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 (5 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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 CES2 2263/4885CES1 4614/4885CYP1A1 4859/4885
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 CES2 3376/4885CES1 3594/4885CYP1A1 455/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 CES2 3450/4885CES1 3549/4885CYP1A1 482/4885
US-12509429-B2 Hydroxybenzamide derivatives and methods of use in treating diabetes DBH, IAPP, HSPA5 CES2 200/4885CES1 182/4885CYP1A1 719/4885
US-20230348396-A1 HYDROXYBENZAMIDE DERIVATIVES AND METHODS OF USE IN TREATING DIABETES HSPA5, IAPP, TFEB CES2 242/4885CES1 478/4885CYP1A1 2961/4885

“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.