SCHEMBL10122830

SCHEMBL10122830

COC(=O)NC(Cc1ccc(OP(C)(=O)O)cc1)C(=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ACACB O00763 1/20 0.42
▸ F2 P00734 3/20 0.41
▸ PLG P00747 2/20 0.41
▸ PLAU P00749 2/20 0.41
▸ PLAT P00750 2/20 0.41
▸ F10 P00742 1/20 0.40
▸ MMP1 P03956 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MMP3 P08254 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ PTPRB P23467 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ GRB2 P62993 2/20 0.37
▸ HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL888740 1.00 CYP2C19 (0.47) CYP2C19SMN1; SMN2ACACBF2PLG
SCHEMBL8906922 0.89 ACACB (0.41) ACACBF2PLGPLAUPLAT
SCHEMBL12980245 0.89 ACACB (0.41) ACACBF2PLGPLAUPLAT
SCHEMBL846781 0.87 CYP2C19 (0.49) CYP2C19SMN1; SMN2F2PLGPLAU
SCHEMBL846448 0.85 CYP2C19 (0.47) CYP2C19SMN1; SMN2ACACBF2PLG
SCHEMBL12205687 0.85 CYP2C19 (0.47) CYP2C19SMN1; SMN2ACACBF2PLG
SCHEMBL10052365 0.85 ACACB (0.41) CYP2C19ACACBF2PLGPLAU
SCHEMBL10140584 0.79 ACACB (0.53) SMN1; SMN2ACACBITGB3ITGA2B
SCHEMBL888697 0.78 ALDH1A1 (0.56) CYP2C19ALDH1A1ALOX15PTPRBTHRB
SCHEMBL10281747 0.78 ALDH1A1 (0.56) CYP2C19ALDH1A1ALOX15PTPRBTHRB

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-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 — — US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 — — US disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 — — 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-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP2C19 180/4885SMN1; SMN2 3741/4885ACACB 265/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP2C19 418/4885SMN1; SMN2 4162/4885ACACB 206/4885

“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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