Sugi Predict

Sugi Predict / Compounds / SCHEMBL760939

SCHEMBL760939

SCHEMBL760939

CC(C)(CC(F)(F)F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ACLY P53396 3/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ ACACB O00763 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ HMGCR P04035 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TET2 Q6N021 1/20 0.30

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
SCHEMBL20753928 0.87 TSHR (0.33) TSHRALDH1A1ACLYCYP2D6CYP2C19
SCHEMBL14448804 0.83 ACLY (0.41) TSHRALDH1A1ACLYCYP2D6CYP2C19
SCHEMBL797973 0.82 TSHR (0.47) TSHRALDH1A1ACLYCYP2D6CYP2C19
SCHEMBL15428297 0.79 TSHR (0.35) TSHRALDH1A1ACLYCYP2D6CYP2C19
SCHEMBL12914951 0.79 TSHR (0.35) TSHRALDH1A1ACLYCYP2D6CYP2C19
SCHEMBL14297758 0.78 GAA (0.32) —
SCHEMBL12946603 0.77 TSHR (0.33) TSHRALDH1A1ACLYCYP2D6CYP2C19
SCHEMBL85014 0.77 TSHR (0.42) TSHRALDH1A1ACLYCYP2D6CYP2C19
SCHEMBL3951357 0.76 TSHR (0.43) TSHRALDH1A1ACLYCYP2D6CYP2C19
SCHEMBL27939409 0.76 KDM4E (0.30) ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12492182-B2 Hydroxytriazine compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2025-12-09 — — US disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 — — EP disclosed
US-20240076278-A1 HYDROXYTRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2024-03-07 — — US disclosed
CN-117043978-A Primer for electrode of electric storage device, primer-forming composition, electrode for electric storage device, and secondary battery ＡＧＣ株式会社 2023-11-10 — — CN disclosed
US-20230046065-A1 MERGING C(sp3)-H ACTIVATION WITH DNA-ENCODING THE SCRIPPS RESEARCH INSTITUTE 2023-02-16 — — US disclosed
CN-115536493-A Simple method for preparing 3, 3-trifluoromethyl-2, 2-dimethylpropanol 海门瑞一医药科技有限公司 2022-12-30 — — CN disclosed
EP-4046991-A1 HYDROXYTRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2022-08-24 — — EP disclosed
US-11400081-B2 Compounds THE UNIVERSITY OF SHEFFIELD (GB) 2022-08-02 — — US disclosed
US-20220023281-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2022-01-27 — — US disclosed
EP-3880679-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS The University Of Sheffield (GB) 2021-09-22 — — EP disclosed
US-20070142362-A1 4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators SOLVAY PHARMACEUTICALS B.V. 2007-06-21 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO disclosed
EP-0432984-B1 Carbamoyl derivatives ZENECA LTD (GB) 1998-03-04 — — EP disclosed
US-5334765-A Intermediate for leukotriene antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-02 — — US disclosed
US-5286740-A Leukotrine antagonists; antiinflammatory agnets, antiallergens, treating asthma IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-15 — — US disclosed
EP-0432984-A2 Carbamoyl derivatives ZENECA LIMITED (GB) 1991-06-19 — — 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 (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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TSHR 2250/4885ALDH1A1 2353/4885ACLY 532/4885
US-20070142362-A1 4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators CNR1, CNR2, GPR55 TSHR 733/4885ALDH1A1 1889/4885ACLY 3621/4885
US-20240076278-A1 HYDROXYTRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF PTGS1, PTGIS, PTGES TSHR 3622/4885ALDH1A1 618/4885ACLY 2301/4885
US-12492182-B2 Hydroxytriazine compounds and pharmaceutical use thereof PTGS1, PTGIS, PTGES TSHR 3622/4885ALDH1A1 618/4885ACLY 2301/4885
US-11400081-B2 Compounds MRGPRX2, MC2R, ADM2 TSHR 304/4885ALDH1A1 1907/4885ACLY 2585/4885
US-20220023281-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS MC2R, AGTR2, AGTR1 TSHR 242/4885ALDH1A1 1456/4885ACLY 3718/4885

“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.