SCHEMBL7936167

SCHEMBL7936167

CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(Cl)c3C2)CN1C(=O)[C@@H](Nc1cc(F)cc(C(F)(F)F)c1)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ ABCC1 P33527 1/20 0.30
▸ ABCC2 Q92887 1/20 0.30
▸ ABCG2 Q9UNQ0 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
SCHEMBL7945074 0.94 CYP3A4 (0.33) CYP3A4ADORA3CHRM1TBXA2RPTGS1
SCHEMBL13365388 0.94 CYP3A4 (0.33) CYP3A4ADORA3CHRM1TBXA2RPTGS1
SCHEMBL13365316 0.93 ADORA3 (0.30) ADORA3CHRM1TBXA2RPTGS1CTSS
SCHEMBL7945193 0.93 CYP3A4 (0.39) CYP3A4
SCHEMBL1635971 0.92 CYP3A4 (0.39) CYP3A4ADORA3CHRM1TBXA2RPTGS1
SCHEMBL13336975 0.92 CYP3A4 (0.39) CYP3A4ADORA3CHRM1TBXA2RPTGS1
SCHEMBL3684528 0.92 CYP3A4 (0.39) CYP3A4ADORA3CHRM1TBXA2RPTGS1
SCHEMBL7946019 0.92 CYP3A4 (0.39) CYP3A4ADORA3CHRM1TBXA2RPTGS1
SCHEMBL7946872 0.92 CYP3A4 (0.39) CYP3A4ADORA3CHRM1TBXA2RPTGS1
SCHEMBL13365366 0.92 ABCC1 (0.32) CYP3A4ABCC1ABCC2ABCG2

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 3 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
WO-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 — — 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-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS CYP3A4 3754/4885ADORA3 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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