SCHEMBL13780937

SCHEMBL13780937

CC(=O)NC(C)CCN(C)S

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS2 P35354 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MTNR1A P48039 6/20 0.35
MTNR1B P49286 6/20 0.35
ALDH1A1 P00352 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
ACACA Q13085 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
SCHEMBL13780653 0.83 ACACB (0.37) ACACBMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL13645921 0.80 ACACB (0.36) ACACBMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL18531937 0.78 ACACB (0.38) ACACBKDM4EMAPTTHRBALOX15
SCHEMBL12506705 0.76 PAOX (0.38) ACACBMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL25794321 0.74
SCHEMBL2736107 0.73 CHRNB2 (0.46) ACACBMTNR1AMTNR1B
SCHEMBL13645924 0.73 TRPV1 (0.35) ACACBMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL18531990 0.72 MTNR1A (0.42) ACACBKDM4EMAPTTHRBALOX15
SCHEMBL18520329 0.72
SCHEMBL13645890 0.72 TAS1R3 (0.47) ACACBMTNR1AMTNR1BALDH1A1ACACA

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-8759379-B2 Inhibitors of cytochrome P450 GILEAD SCIENCES, INC. (US) 2014-06-24 US disclosed
US-20090175820-A1 INHIBITORS OF CYTOCHROME P450 GILEAD SCIENCES, INC. (US) 2009-07-09 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-20090175820-A1 INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP11B2, CYP2F1 ACACB 444/4885KDM4E 3489/4885MAPT 3296/4885

“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.