SCHEMBL772183

SCHEMBL772183

CCOC(=O)/C=C/c1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
FAAH O00519 7/20 0.42
CYP3A4 P08684 1/20 0.41
MAPT P10636 3/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TTR P02766 1/20 0.40
DPP4 P27487 1/20 0.40
TRPV1 Q8NER1 5/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5 P09917 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
SCHEMBL5065679 0.98 GHSR (0.46) GHSRCA12CA1CA2CA7
SCHEMBL2156573 0.98 GHSR (0.46) GHSRCA12CA1CA2CA7
SCHEMBL3775772 0.86 FAAH (0.48) GHSRFAAHCYP3A4TRPV1ALDH1A1
SCHEMBL3775768 0.86 FAAH (0.48) GHSRFAAHCYP3A4TRPV1ALDH1A1
SCHEMBL3071572 0.84 FAAH (0.51) GHSRFAAHCYP3A4TRPV1ALDH1A1
SCHEMBL3071576 0.84 FAAH (0.51) GHSRFAAHCYP3A4TRPV1ALDH1A1
SCHEMBL16512867 0.83 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL7748046 0.83 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL7748042 0.83 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL12377198 0.82 CA12 (0.51) CA12CA1CA2CA7CA9

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (2 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 GHSR 4302/4885CA12 2406/4885CA1 3203/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 GHSR 4302/4885CA12 2406/4885CA1 3203/4885

“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.