SCHEMBL16508643

SCHEMBL16508643

CCC(=O)C(O)c1ccc2c(c1)CCN2C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.57
CYP11B1 P15538 5/20 0.51
CYP11B2 P19099 5/20 0.51
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL15743832 0.87 NOTUM (0.61) NOTUMCYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL14665068 0.85 NOTUM (0.58) NOTUMCYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL8567499 0.83 CYP11B1 (0.65) NOTUMCYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL14664037 0.83 NOTUM (0.56) NOTUMCYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL6124253 0.81 NOTUM (0.65) NOTUMCYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL7825717 0.81 NOTUM (0.57) NOTUMCYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL27876299 0.80 NOTUM (0.56) NOTUMCYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL14663963 0.80 NOTUM (0.58) NOTUMCYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL27536609 0.79 NOTUM (0.61) NOTUMCYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL5781956 0.78 NOTUM (0.53) NOTUMCYP11B1CYP11B2ALDH1A1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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 (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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 NOTUM 2877/4885CYP11B1 4289/4885CYP11B2 4519/4885

“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.