SCHEMBL31593104

SCHEMBL31593104

CC(=O)N[C@H]1Cc2ccc(cc2)OC/C=C\CNC(=O)CC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O

nearest known ligand 0.86

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPN P05981 16/20 0.86
▸ ST14 Q9Y5Y6 16/20 0.86
▸ TMPRSS2 O15393 14/20 0.86
▸ F2 P00734 14/20 0.86
▸ HGFAC Q04756 14/20 0.86
▸ F10 P00742 5/20 0.61
▸ OPRM1 P35372 3/20 0.47
▸ OPRK1 P41145 3/20 0.47

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
SCHEMBL31593136 0.95 HPN (0.85) HPNST14TMPRSS2F2HGFAC
SCHEMBL31593090 0.92 HPN (0.84) HPNST14TMPRSS2F2HGFAC
SCHEMBL22850400 0.89 HPN (0.84) HPNST14TMPRSS2F2HGFAC
SCHEMBL31593138 0.89 HPN (0.84) HPNST14TMPRSS2F2HGFAC
SCHEMBL31593114 0.88 HPN (0.84) HPNST14TMPRSS2F2HGFAC
SCHEMBL31593094 0.87 HPN (0.83) HPNST14TMPRSS2F2HGFAC
SCHEMBL31593139 0.87 HPN (0.83) HPNST14TMPRSS2F2HGFAC
SCHEMBL22834210 0.85 HPN (0.62) HPNST14TMPRSS2F2HGFAC
SCHEMBL22834211 0.85 HPN (0.62) HPNST14TMPRSS2F2HGFAC
SCHEMBL22834128 0.84 HPN (0.64) HPNST14TMPRSS2F2HGFAC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171495-A1 MUTLI-TARGETED SERINE PROTEASE INHIBITORS FOR TREATMENT OF CANCER AND VIRAL INFECTION WASHINGTON UNIVERSITY 2025-05-29 — — US 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-20250171495-A1 MUTLI-TARGETED SERINE PROTEASE INHIBITORS FOR TREATMENT OF CANCER AND VIRAL INFECTION TMPRSS2, PRSS1, PRSS2 HPN 13/4885ST14 84/4885TMPRSS2 1/4885

“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.

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