Sugi Predict

Sugi Predict / Compounds / SCHEMBL8534398

SCHEMBL8534398

SCHEMBL8534398

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.66
▸ CES2 O00748 2/20 0.61
▸ CES1 P23141 2/20 0.61
▸ SRD5A2 P31213 2/20 0.52
▸ PTPN1 P18031 2/20 0.50
▸ NR4A1 P22736 1/20 0.50
▸ NR4A2 P43354 1/20 0.50
▸ NR4A3 Q92570 1/20 0.50
▸ SLC6A4 P31645 1/20 0.49
▸ TRPV1 Q8NER1 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ DBH P09172 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ CYP1A1 P04798 1/20 0.44

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
SCHEMBL2075210 0.86 GSK3B (0.63) GSK3BCES2CES1SRD5A2PTPN1
SCHEMBL8553654 0.86 CES2 (0.65) GSK3BCES2CES1SRD5A2PTPN1
SCHEMBL19520441 0.84 GSK3B (0.61) GSK3BCES2CES1SRD5A2PTPN1
SCHEMBL14392841 0.84 GSK3B (0.61) GSK3BCES2CES1SRD5A2PTPN1
SCHEMBL21565745 0.84 GSK3B (0.61) GSK3BCES2CES1SRD5A2PTPN1
SCHEMBL5951864 0.84 GSK3B (0.61) GSK3BCES2CES1SRD5A2PTPN1
SCHEMBL19866845 0.84 GSK3B (0.61) GSK3BCES2CES1SRD5A2PTPN1
SCHEMBL786834 0.84 GSK3B (0.72) GSK3BCES2CES1SRD5A2PTPN1
SCHEMBL4877556 0.82 MLYCD (0.58) —
SCHEMBL10121174 0.82 KDM4E (0.62) GSK3BCES2CES1KDM4EDBH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3041059-A — — None — — JP disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 — — US disclosed
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-09-14 — — US disclosed
US-20230050819-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-02-16 — — US disclosed
US-20210283265-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2021-09-16 — — US disclosed
US-20210015793-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH ZURICH (CH) 2021-01-21 — — US disclosed
EP-3302486-B1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-30 — — EP disclosed
EP-3302486-B1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-30 — — EP disclosed
EP-3302484-B1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-16 — — EP disclosed
EP-3302484-B1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-16 — — EP disclosed
US-7348427-B2 Antipathogenic benzamide compounds GENESOFT PHARMACEUTICALS, INC. (US) 2008-03-25 — — US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 — — US disclosed
EP-0435081-B1 Triazole derivatives SS PHARMACEUTICAL CO (JP) 1998-08-12 — — EP disclosed
US-5147886-A Skin disorders; urogenital,respiratory systems SS PHARMACEUTICAL CO., LTD. (JP) 1992-09-15 — — US disclosed
EP-0273647-B1 COUMARAN DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-03-11 — — EP disclosed
EP-0435081-A2 Triazole derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1991-07-03 — — EP disclosed
JP-H0341059-A 2-METHYL-1-(4-TRIFLUOROMETHYLPHENYL)PROPANONE DERIVATIVE AND SYNTHETIC INTERMEDIATE THEREFOR NIPPON KAYAKU CO LTD 1991-02-21 — — JP disclosed
US-4857516-A Coumaran derivatives and their pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-15 — — US disclosed
EP-0273647-A1 Coumaran derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-07-06 — — EP disclosed
US-4043790-A 2-OR 4-SUBSTITUTED PYRIDINE METHANE OR PYRIDINE METHANOL, NONHERBICIDAL ELI LILLY AND COMPANY (US) 1977-08-23 — — 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 (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-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT GSK3B 2703/4885CES2 3202/4885CES1 1593/4885
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE NEDD4, CBL, UBQLN2 GSK3B 1515/4885CES2 3486/4885CES1 4185/4885
US-20210283265-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE NEDD4, CBL, UBQLN2 GSK3B 1515/4885CES2 3486/4885CES1 4185/4885
US-20230050819-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE CYFIP2, TPX2, ATXN2 GSK3B 2828/4885CES2 1693/4885CES1 3993/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 GSK3B 2810/4885CES2 4820/4885CES1 3698/4885
US-20210015793-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES PPT1, SPTLC1, LPCAT1 GSK3B 2489/4885CES2 1753/4885CES1 248/4885

“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.