SCHEMBL4297033

SCHEMBL4297033

C=Cc1cc2c(O[C@@H]3C[C@@H](C(=O)O)N(C(=O)O)C3)nccc2cc1OC

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.38
CYP3A4 P08684 1/20 0.35
IRAK4 Q9NWZ3 14/20 0.35
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL4565058 0.94 MMP2 (0.38) STING1CYP3A4IRAK4
SCHEMBL1074490 0.90 CYP3A4 (0.40) STING1CYP3A4IRAK4
SCHEMBL1074488 0.90 CYP3A4 (0.40) STING1CYP3A4IRAK4
Hydrochloric Acid SCHEMBL1071141 0.87 IRAK4 (0.39) STING1IRAK4
SCHEMBL4301154 0.86 APAF1 (0.39) CYP3A4IRAK4HCRTR1HCRTR2
SCHEMBL16318483 0.83 CYP3A4 (0.41) CYP3A4IRAK4
SCHEMBL16318484 0.83 CYP3A4 (0.41) CYP3A4IRAK4
SCHEMBL2743957 0.82 HCRTR1 (0.35) CYP3A4IRAK4HCRTR1HCRTR2
SCHEMBL4298045 0.79 CYP3A4 (0.38) CYP3A4IRAK4
SCHEMBL2897360 0.79 SMN1; SMN2 (0.40) STING1

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-8314062-B2 Macrocyclic compounds as antiviral agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-11-20 US disclosed
US-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-12-17 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-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 STING1 1120/4885CYP3A4 338/4885IRAK4 1025/4885

“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.