SCHEMBL10120799

SCHEMBL10120799

N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)C[C@H]1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.36
▸ TNK2 Q07912 5/20 0.33
▸ RIPK1 Q13546 5/20 0.31
▸ ACVRL1 P37023 1/20 0.30

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
SCHEMBL10120795 0.91 TNK2 (0.33) TMPRSS2TNK2
SCHEMBL18636433 0.91 BACE1 (0.34) TMPRSS2TNK2RIPK1
SCHEMBL20144181 0.91 BACE1 (0.34) TMPRSS2TNK2RIPK1
SCHEMBL12243225 0.88 NPC1 (0.35) TMPRSS2TNK2RIPK1
SCHEMBL13667660 0.85 TMPRSS2 (0.41) TMPRSS2RIPK1
SCHEMBL19504314 0.82 TMPRSS2 (0.38) TMPRSS2
SCHEMBL10153929 0.81 TMPRSS2 (0.44) TMPRSS2ACVRL1
SCHEMBL882530 0.81 TMPRSS2 (0.41) TMPRSS2ACVRL1
SCHEMBL18636432 0.81 TMPRSS2 (0.36) TMPRSS2TNK2RIPK1
SCHEMBL12835932 0.80 BACE1 (0.32) —

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-20120027752-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-02-02 — — 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-20120027752-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 TMPRSS2 433/4885TNK2 3193/4885RIPK1 1061/4885

“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.

Send feedback