SCHEMBL19899342

SCHEMBL19899342

COC(=O)[C@@H]1C[C@@H](SCc2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.42
NR1H3 Q13133 3/20 0.42
KLK5 Q9Y337 1/20 0.41
HTRA1 Q92743 1/20 0.41
AGTR2 P50052 2/20 0.40
MMP2 P08253 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KLK7 P49862 1/20 0.39
PTPN1 P18031 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
MCL1 Q07820 1/20 0.39
STS P08842 1/20 0.39
P2RX3 P56373 1/20 0.39
UCHL1 P09936 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL21104798 1.00 NR1H2 (0.42) NR1H2NR1H3KLK5HTRA1AGTR2
SCHEMBL3179931 0.93 AGTR2 (0.42) NR1H2NR1H3KLK5HTRA1AGTR2
SCHEMBL3179947 0.90 AGTR2 (0.50) NR1H2NR1H3HTRA1AGTR2GAA
SCHEMBL5409683 0.89 HTRA1 (0.46) NR1H2NR1H3HTRA1MMP2SMN1; SMN2
SCHEMBL19899275 0.87 AGTR2 (0.44) HTRA1AGTR2MMP2
SCHEMBL19899348 0.83 ECE1 (0.41) AGTR2MMP2L3MBTL1POLBCYP3A4
SCHEMBL6847765 0.83 NR1H2 (0.44) NR1H2NR1H3KLK5HTRA1MMP2
SCHEMBL6847598 0.83 NR1H2 (0.44) NR1H2NR1H3KLK5HTRA1MMP2
SCHEMBL700092 0.83 NR1H2 (0.44) NR1H2NR1H3KLK5HTRA1MMP2
SCHEMBL19912952 0.81 HTRA1 (0.44) HTRA1AGTR2SMN1; SMN2KMT2A

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 16 patents. 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-3504193-A1 NEW DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-07-03 EP disclosed
EP-3504197-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-07-03 EP disclosed
US-20190185427-A1 DIFLUOROKETAMIDE 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
US-20190185426-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-20 US disclosed
US-20190185427-A1 DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-20 US disclosed
WO-2018036942-A1 NEW DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-03-01 WO disclosed
WO-2018036957-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-03-01 WO disclosed
WO-2018036957-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-03-01 WO disclosed
WO-2018036942-A1 NEW DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-03-01 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 (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-11001555-B2 Difluoroketamide derivatives as HTRA1 inhibitors HTRA1, HTR1A, HTR1F NR1H2 2283/4885NR1H3 2239/4885KLK5 1274/4885
US-20190185426-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HTRA1, HTRA2, HTR1A NR1H2 2350/4885NR1H3 2270/4885KLK5 2690/4885
US-10870623-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HTRA1, HTR1A, HTR1F NR1H2 2041/4885NR1H3 1873/4885KLK5 2891/4885
US-20190185427-A1 DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS HTRA1, HTR1A, HTR1F NR1H2 2283/4885NR1H3 2239/4885KLK5 1274/4885

“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.