SCHEMBL12940447

SCHEMBL12940447

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nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.47
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ PPARA Q07869 8/20 0.43
▸ PPARG P37231 7/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ ITGA4 P13612 1/20 0.41
▸ ITGB7 P26010 1/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ CTSS P25774 3/20 0.41
▸ CTSK P43235 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ IDO1 P14902 1/20 0.40

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
SCHEMBL26980917 0.77 ACE (0.47) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL11349136 0.77 ACE (0.47) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL16119290 0.75 ACE (0.48) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL16228847 0.75 ACE (0.48) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL14118068 0.75 ACE (0.48) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL11346506 0.75 ACE (0.46) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL16119132 0.73 ACE (0.46) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL22160063 0.73 ACE (0.46) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL29039971 0.73 ACE (0.54) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL28583142 0.73 ACE (0.54) ACEITGB3ITGA2BPPARAPPARG

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-9085587-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2015-07-21 — — US disclosed
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. 2012-10-04 — — 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-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS ACE 182/4885ITGB3 2442/4885ITGA2B 3450/4885

“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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