Sugi Predict

Sugi Predict / Compounds / SCHEMBL5405039

SCHEMBL5405039

SCHEMBL5405039

COc1ccc(CS[C@@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTRA1 Q92743 3/20 0.44
▸ DPP4 P27487 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ AGTR2 P50052 3/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MMP1 P03956 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37
▸ MMP13 P45452 1/20 0.37

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
SCHEMBL8435103 1.00 HTRA1 (0.44) HTRA1DPP4DPP7AGTR2PPARG
SCHEMBL19912952 1.00 HTRA1 (0.44) HTRA1DPP4DPP7AGTR2PPARG
SCHEMBL7177077 1.00 HTRA1 (0.44) HTRA1DPP4DPP7AGTR2PPARG
SCHEMBL8435358 1.00 HTRA1 (0.44) HTRA1DPP4DPP7AGTR2PPARG
SCHEMBL5409683 0.90 HTRA1 (0.46) HTRA1DPP4DPP7PPARGPPARA
SCHEMBL9202402 0.90 HTRA1 (0.44) HTRA1DPP4DPP7PPARGPPARA
SCHEMBL3179947 0.89 AGTR2 (0.50) HTRA1AGTR2SMN1; SMN2KMT2A
SCHEMBL9202881 0.88 HTRA1 (0.42) HTRA1DPP4DPP7PPARGPPARA
SCHEMBL6942572 0.88 HTRA1 (0.42) HTRA1DPP4DPP7PPARGPPARA
SCHEMBL7165527 0.88 HTRA1 (0.45) HTRA1DPP4DPP7AGTR2ALDH1A1

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
EP-3504197-B1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-11-17 — — EP disclosed
EP-3504197-B1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-11-17 — — EP disclosed
US-11001555-B2 Difluoroketamide derivatives as HTRA1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2021-05-11 — — US disclosed
US-11001555-B2 Difluoroketamide derivatives as HTRA1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2021-05-11 — — US disclosed
US-10870623-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-12-22 — — US disclosed
US-10870623-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-12-22 — — US disclosed
EP-3504197-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-07-03 — — EP disclosed
EP-3504193-A1 NEW DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-07-03 — — EP disclosed
US-20190185426-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-20 — — US disclosed
US-20190185426-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-20 — — US disclosed
EP-1303486-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 — — EP disclosed
EP-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 — — EP disclosed
US-6541638-B2 (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction HOFFMAN-LA ROCHE INC. 2003-04-01 — — US disclosed
US-6444829-B1 (2S,4R)-4-MERCAPTO-1-(NAPHTHALENE-2-SULFONYL)-PYRROLIDINE-2 -CARBOXYLIC ACID N'-ISOBUTYL-N'-(4-METHYL-BENZENESULFONYL)-HYDRAZIDE, FOR EXAMPLE; INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; VASODILATORS HOFFMANN-LA ROCHE INC. 2002-09-03 — — US disclosed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 — — US disclosed
US-20020040048-A1 PYRROLIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2002-04-04 — — US disclosed
US-20020040146-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2002-04-04 — — US disclosed
WO-2002008185-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 — — WO disclosed
WO-2002006224-A1 PYRROLIDINE-2-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES FOR USE AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 — — WO disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 — — 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 (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-11001555-B2 Difluoroketamide derivatives as HTRA1 inhibitors HTRA1, HTR1A, HTR1F HTRA1 1/4885DPP4 850/4885DPP7 739/4885
US-20190185426-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HTRA1, HTRA2, HTR1A HTRA1 1/4885DPP4 1163/4885DPP7 1005/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 HTRA1 374/4885DPP4 80/4885DPP7 57/4885
US-10870623-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HTRA1, HTR1A, HTR1F HTRA1 1/4885DPP4 1012/4885DPP7 937/4885
US-20020040048-A1 PYRROLIDINE COMPOUNDS PREP, PEPD, MMP3 HTRA1 299/4885DPP4 15/4885DPP7 32/4885
US-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP HTRA1 477/4885DPP4 42/4885DPP7 21/4885

“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.