Sugi Predict

Sugi Predict / Compounds / SCHEMBL568924

SCHEMBL568924

SCHEMBL568924

C[C@](O)(C(=O)O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ PDK1 Q15118 11/20 0.45
▸ PDK2 Q15119 11/20 0.45
▸ PDK3 Q15120 11/20 0.45
▸ PDK4 Q16654 11/20 0.45
▸ THRB P10828 1/20 0.39
▸ ABCC9 O60706 2/20 0.37
▸ ABCC8 Q09428 2/20 0.37
▸ KCNJ11 Q14654 2/20 0.37
▸ KCNJ8 Q15842 2/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ HMGCR P04035 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ TBXA2R P21731 1/20 0.36
▸ ADRA1A P35348 1/20 0.36

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
SCHEMBL568925 1.00 ALDH1A1 (0.53) ALDH1A1TSHRPDK1PDK2PDK3
SCHEMBL569205 1.00 ALDH1A1 (0.53) ALDH1A1TSHRPDK1PDK2PDK3
SCHEMBL26348105 0.85 THRB (0.46) ALDH1A1TSHRPDK1PDK2PDK3
SCHEMBL18562452 0.84 ALDH1A1 (0.50) ALDH1A1TSHRPDK1PDK2PDK3
SCHEMBL10472538 0.82 ALDH1A1 (0.64) ALDH1A1TSHRPDK1PDK2PDK3
SCHEMBL606619 0.82 ALDH1A1 (0.64) ALDH1A1TSHRPDK1PDK2PDK3
SCHEMBL10453248 0.82 ALDH1A1 (0.64) ALDH1A1TSHRPDK1PDK2PDK3
SCHEMBL26348102 0.81 THRB (0.54) ALDH1A1TSHRPDK1PDK2PDK3
SCHEMBL26348120 0.79 — —
SCHEMBL5858699 0.78 PDK1 (0.39) ALDH1A1TSHRPDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0938584-B1 METHOD OF PREPARING (S) - OR (R) -3,3,3-TRIFLUORO-2-HYDROXY-2- METHYLPROPIONIC ACID LONZA AG (CH) 2008-05-28 — — EP claimed
US-6921832-B2 Optically active fluorine-containing compounds and processes for their production TOSOH CORPORATION (JP) 2005-07-26 — — US claimed
EP-0904400-B1 ENZYMATIC PROCESS FOR STEREOSELECTIVE PREPARATION OF THERAPEUTIC AMIDES ASTRAZENECA AB (SE) 2005-03-16 — — EP claimed
US-20040147756-A1 Optically active fluorine-containing compounds and processes for their production TOSOH CORPORATION (JP) 2004-07-29 — — US claimed
EP-1422226-A1 Optically active fluorine-containing compounds and processes for their production Tosoh Corporation (JP) 2004-05-26 — — EP claimed
EP-0904400-A2 ENZYMATIC PROCESS FOR STEREOSELECTIVE PREPARATION OF THERAPEUTIC AMIDES AstraZeneca AB (SE) 1999-03-31 — — EP claimed
WO-1997038124-A2 ENZYMATIC PROCESS FOR STEREOSELECTIVE PREPARATION OF THERAPEUTIC AMIDES ZENECA LIMITED (GB) 1997-10-16 — — WO claimed
US-20250353817-A1 INTERLUKIN-17A INHIBITORS AND USES THEREOF GILEAD SCIENCES INC (US) 2025-11-20 — — US disclosed
EP-4559912-A1 SULFUR-CONTAINING HETEROAROMATIC RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Evopoint Biosciences Co., Ltd. (CN) 2025-05-28 — — EP disclosed
WO-2024220399-A1 PYRAZOLOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-10-24 — — WO disclosed
US-20240218021-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-07-04 — — US disclosed
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2024-06-06 — — US disclosed
WO-2024017306-A1 SULFUR-CONTAINING HETEROAROMATIC RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 苏州信诺维医药科技股份有限公司 2024-01-25 — — WO disclosed
EP-0641302-A1 ALCOHOLS AS POTASSIUM CHANNEL OPENERS AND IN TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1995-03-08 — — EP disclosed
US-5382598-A Therapeutic amides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-01-17 — — US disclosed
WO-1994026739-A1 1,4-BENZOXAZINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS ZENECA LIMITED (GB) 1994-11-24 — — WO disclosed
EP-0617010-A1 Therapeutic compounds ZENECA LIMITED (GB) 1994-09-28 — — EP disclosed
US-5272163-A Therapeutic amides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-21 — — US disclosed
WO-1993023358-A1 ALCOHOLS AS POTASSIUM CHANNEL OPENERS AND IN TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1993-11-25 — — WO disclosed
EP-0524781-A1 Therapeutic amides ZENECA LIMITED (GB) 1993-01-27 — — 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 (4 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-20250353817-A1 INTERLUKIN-17A INHIBITORS AND USES THEREOF IL17A, IL15, IL23R ALDH1A1 536/4885TSHR 4412/4885PDK1 2353/4885
US-20240218021-A1 CYCLIN INHIBITORS CCNI, CCNC, CDK2 ALDH1A1 2597/4885TSHR 3888/4885PDK1 421/4885
US-20040147756-A1 Optically active fluorine-containing compounds and processes for their production CYP2C19, CYP2F1, CYP2B6 ALDH1A1 898/4885TSHR 986/4885PDK1 2335/4885
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, HASPIN ALDH1A1 3571/4885TSHR 4703/4885PDK1 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.