SCHEMBL17705131

SCHEMBL17705131

BCNC(=O)CSCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.55
HIF1A Q16665 1/20 0.55
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 3/20 0.42
FABP4 P15090 4/20 0.42
USP2 O75604 1/20 0.40
FABP3 P05413 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.35
MITF O75030 1/20 0.35
KLF5 Q13887 1/20 0.35

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
SCHEMBL25935846 0.77 CYP2D6 (0.55) CYP2D6HIF1AGAAL3MBTL1ALDH1A1
SCHEMBL17701596 0.77
SCHEMBL17701600 0.76 HPGD (0.41) ALDH1A1USP2TSHRSMN1; SMN2TDP1
SCHEMBL24795949 0.74 CYP2D6 (0.50) CYP2D6HIF1AGAAL3MBTL1ALDH1A1
SCHEMBL144220 0.74
SCHEMBL2034998 0.74 CYP2D6 (1.00) CYP2D6HIF1AGAAALDH1A1FABP4
SCHEMBL21389247 0.72 TSHR (0.48) CYP2D6HIF1AGAAL3MBTL1ALDH1A1
SCHEMBL26747622 0.71 CYP2D6 (0.60) CYP2D6HIF1AGAAL3MBTL1ALDH1A1
Ammonia Solution, Strong SCHEMBL28227410 0.71 CYP2D6 (0.92) CYP2D6HIF1AGAAALDH1A1FABP4
SCHEMBL17701602 0.70 CYP2C19 (0.39) CYP2D6HIF1AALDH1A1CYP2C19

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-20160114049-A1 RNAi VITAMIN D CONJUGATES EXTEND BIOSCIENCES, INC. (US) 2016-04-28 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-20160114049-A1 RNAi VITAMIN D CONJUGATES VDR, CYP2R1, CYP24A1 CYP2D6 1693/4885HIF1A 2469/4885GAA 3644/4885

“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.