SCHEMBL19914746

SCHEMBL19914746

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 15/20 0.44
STS P08842 2/20 0.41
MMP1 P03956 2/20 0.41
MMP9 P14780 2/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP13 P45452 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 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
SCHEMBL19899279 1.00 HTRA1 (0.44) HTRA1STSMMP1MMP9MMP3
SCHEMBL19899315 0.89 STS (0.49) HTRA1STS
SCHEMBL21104741 0.89 STS (0.49) HTRA1STS
SCHEMBL1373833 0.83 MMP1 (0.41) STSMMP1MMP9MMP3MMP7
SCHEMBL2169710 0.83 MMP1 (0.41) STSMMP1MMP9MMP3MMP7
SCHEMBL19912650 0.82 STS (0.49) HTRA1STSMAPT
SCHEMBL19899344 0.82 STS (0.49) HTRA1STSMAPT
SCHEMBL19912653 0.81 HTRA1 (0.54) HTRA1
SCHEMBL21104748 0.80 HTRA1 (0.62) HTRA1
SCHEMBL19912652 0.80 HTRA1 (0.62) HTRA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190185426-A1 NEW TRIFLUOROMETHYLPROPANAMIDE 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20190185426-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HTRA1, HTRA2, HTR1A HTRA1 1/4885STS 2348/4885MMP1 1829/4885

“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.