SCHEMBL13365340

SCHEMBL13365340

C=C(C)[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)N1C[C@H](OC(=O)N2Cc3cccc(Cl)c3C2)C[C@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2(C)CC2)C[C@H]1CC

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ TBXA2R P21731 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ THRB P10828 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
SCHEMBL13365316 0.94 ADORA3 (0.30) CTSSADORA3CHRM1TBXA2RPTGS1
SCHEMBL7945074 0.93 CYP3A4 (0.33) CTSSADORA3CHRM1TBXA2RPTGS1
SCHEMBL13365388 0.93 CYP3A4 (0.33) CTSSADORA3CHRM1TBXA2RPTGS1
SCHEMBL13365353 0.92 CYP3A4 (0.35) —
SCHEMBL13365283 0.87 ADORA3 (0.31) CTSSADORA3CHRM1TBXA2RPTGS1
SCHEMBL7935885 0.87 CTSS (0.33) CTSSADORA3CHRM1TBXA2RPTGS1
SCHEMBL7936167 0.87 CYP3A4 (0.32) CTSSADORA3CHRM1TBXA2RPTGS1
SCHEMBL13365315 0.86 ADORA3 (0.36) CTSSADORA3CHRM1TBXA2RPTGS1
SCHEMBL13365350 0.86 CYP3A4 (0.34) —
SCHEMBL7935892 0.85 CYP3A4 (0.33) CTSSADORA3CHRM1TBXA2RPTGS1

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-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 CTSS 565/4885ADORA3 3129/4885CHRM1 4876/4885

“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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