SCHEMBL13336980

SCHEMBL13336980

CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(F)c3C2)CN1C(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ CYP3A4 P08684 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
SCHEMBL3685793 0.93 CTSS (0.42) ADORA3CHRM1TBXA2RPTGS1CTSS
SCHEMBL7936511 0.93 CTSS (0.42) ADORA3CHRM1TBXA2RPTGS1CTSS
SCHEMBL1636582 0.93 CTSS (0.42) ADORA3CHRM1TBXA2RPTGS1CTSS
SCHEMBL13336904 0.93 CTSS (0.42) ADORA3CHRM1TBXA2RPTGS1CTSS
SCHEMBL1636580 0.93 CTSS (0.42) ADORA3CHRM1TBXA2RPTGS1CTSS
SCHEMBL13336984 0.90 CTSS (0.36) ADORA3CHRM1TBXA2RPTGS1CTSS
SCHEMBL4925753 0.89 CYP3A4 (0.47) CYP3A4
SCHEMBL13624787 0.89 CYP3A4 (0.47) CYP3A4
SCHEMBL16263090 0.89 CYP3A4 (0.47) CYP3A4
SCHEMBL3490374 0.87 CYP3A4 (0.41) CYP3A4

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-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 — — US disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 — — 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-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS ADORA3 3129/4885CHRM1 4876/4885TBXA2R 4255/4885

“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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