Sugi Predict

Sugi Predict / Compounds / SCHEMBL3217896

SCHEMBL3217896

SCHEMBL3217896

COc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.56
▸ CTSS P25774 1/20 0.53
▸ CTSK P43235 1/20 0.53
▸ PPARG P37231 1/20 0.51
▸ PPARA Q07869 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.50
▸ ABCB1 P08183 1/20 0.46
▸ S1PR3 Q99500 1/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ LDHA P00338 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ PTGS1 P23219 2/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ AKR1C3 P42330 2/20 0.40
▸ AKR1C2 P52895 2/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL844432 1.00 ATM (0.56) ATMCTSSCTSKPPARGPPARA
SCHEMBL844431 1.00 ATM (0.56) ATMCTSSCTSKPPARGPPARA
SCHEMBL16174110 0.90 NPSR1 (0.51) ATMCTSSCTSKPPARGPPARA
SCHEMBL16171651 0.90 NPSR1 (0.51) ATMCTSSCTSKPPARGPPARA
SCHEMBL1115110 0.88 NPSR1 (0.50) ATMCTSSCTSKPPARGPPARA
SCHEMBL13808330 0.88 NPSR1 (0.50) ATMCTSSCTSKPPARGPPARA
SCHEMBL2426587 0.88 NPSR1 (0.50) ATMCTSSCTSKPPARGPPARA
SCHEMBL2426585 0.88 NPSR1 (0.50) ATMCTSSCTSKPPARGPPARA
SCHEMBL5967485 0.88 AKR1C3 (0.55) ATMCTSSCTSKPPARGPPARA
SCHEMBL3376503 0.86 CTSK (0.49) ATMCTSSCTSKPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025243042-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILIN D THE UNIVERSITY OF LIVERPOOL (GB) 2025-11-27 — — WO disclosed
EP-4332089-A1 METHOD FOR PREPARING AMINO ACIDS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2024-03-06 — — EP disclosed
CN-108699106-B Novel trifluoromethylpropionamide derivatives as HTRA1 inhibitors 豪夫迈·罗氏有限公司 2021-11-30 — — CN disclosed
CN-107531653-B Novel difluoroketoamide derivatives 豪夫迈·罗氏有限公司 2021-10-19 — — CN disclosed
EP-3484859-B1 NEW DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-09-15 — — EP disclosed
US-11059858-B2 Difluoroketamide derivatives as HtrA1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-07-13 — — US disclosed
US-11014963-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-05-25 — — US disclosed
EP-3423467-B1 NEW DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-04-28 — — EP disclosed
CN-107207421-B Novel trifluoromethylpropionamide derivatives 豪夫迈·罗氏有限公司 2021-04-20 — — CN disclosed
US-10865182-B2 Difluoroketamide derivatives as HtrA1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-12-15 — — US disclosed
US-20170348257-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-12-07 — — US disclosed
CN-107207421-A New trifluoromethyl propanamide derivative 豪夫迈·罗氏有限公司 2017-09-26 — — CN disclosed
WO-2016180751-A1 NEW DIFLUOROKETAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-11-17 — — WO disclosed
WO-2016135070-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-09-01 — — WO disclosed
US-20130303547-A1 HCV Protease Inhibitors and Uses Thereof ABBVIE INC (US) 2013-11-14 — — US disclosed
US-8497275-B2 HCV protease inhibitors and uses thereof ABBVIE INC. (US) 2013-07-30 — — US disclosed
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-02-04 — — US disclosed
US-20080262005-A1 Uracil-Type Gonadotropin-Releasing Hormone Receptor Antagonists and Methods Related Thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-23 — — US disclosed
WO-2008074035-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-19 — — WO disclosed
WO-2005113516-A1 URACIL-TYPE GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-12-01 — — 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 (7 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-20170348257-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES PRMT7, GFRA3, PRMT5 ATM 3677/4885CTSS 1843/4885CTSK 2343/4885
US-20130303547-A1 HCV Protease Inhibitors and Uses Thereof SERPINB1, PEPD, PREP ATM 4793/4885CTSS 40/4885CTSK 86/4885
US-11059858-B2 Difluoroketamide derivatives as HtrA1 inhibitors HTRA1, HTR1A, HTR1E ATM 3659/4885CTSS 1017/4885CTSK 692/4885
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF SERPINB1, PEPD, PREP ATM 4793/4885CTSS 40/4885CTSK 86/4885
US-11014963-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HTRA1, HTR3E, HTR1F ATM 4038/4885CTSS 1204/4885CTSK 1544/4885
US-20080262005-A1 Uracil-Type Gonadotropin-Releasing Hormone Receptor Antagonists and Methods Related Thereto GNRHR, FSHR, GHRHR ATM 3787/4885CTSS 2362/4885CTSK 2871/4885
US-10865182-B2 Difluoroketamide derivatives as HtrA1 inhibitors HTRA1, HTR1A, HTR1E ATM 3666/4885CTSS 1092/4885CTSK 715/4885

“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.