SCHEMBL803940

SCHEMBL803940

CCOC(=O)CCNC(=O)N[C@H]1CC[C@H](C)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.56
SMYD3 Q9H7B4 1/20 0.48
EPHX1 P07099 10/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL803711 0.83 EPHX2 (0.55) EPHX2EPHX1KDM4EALDH1A1
SCHEMBL804020 0.80 EPHX2 (0.57) EPHX2EPHX1KDM4EALDH1A1NPC1
SCHEMBL12850356 0.79 EPHX2 (0.58) EPHX2SMYD3EPHX1
SCHEMBL14654952 0.76 EPHX1 (0.66) EPHX2EPHX1KDM4EALDH1A1
SCHEMBL15750233 0.76 EPHX2 (0.78) EPHX2EPHX1
SCHEMBL3665533 0.76 SMYD3 (0.43) EPHX2SMYD3ALDH1A1
SCHEMBL20233001 0.76 EPHX1 (0.60) EPHX2EPHX1KDM4EALDH1A1RAB9A
SCHEMBL7140606 0.74 SMYD3 (0.50) EPHX2SMYD3KDM4EALDH1A1
SCHEMBL15906231 0.74 EPHX1 (0.48) SMYD3EPHX1ALDH1A1NPC1RAB9A
SCHEMBL5949999 0.74 EPHX1 (0.48) SMYD3EPHX1ALDH1A1NPC1RAB9A

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-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 EPHX2 2282/4885SMYD3 2318/4885EPHX1 3653/4885

“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.