SCHEMBL10052164

SCHEMBL10052164

Cc1ccc(C(=O)c2csc(C(C)C)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.48
ALDH1A1 P00352 5/20 0.46
LMNA P02545 1/20 0.46
CA2 P00918 1/20 0.42
SRD5A2 P31213 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
POLB P06746 1/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
MITF O75030 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL10052241 0.86 TLR7 (0.47) TLR7ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL10052157 0.86 TLR7 (0.56) TLR7ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL27830319 0.83 TLR7 (0.54) TLR7SMN1; SMN2PIK3CDPIK3CAPIK3CB
SCHEMBL13827949 0.74 TLR7 (0.53) TLR7SMN1; SMN2NPC1RAB9APIK3CD
SCHEMBL314037 0.74 TLR7 (0.53) TLR7ALDH1A1POLBPIK3CDPIK3CA
SCHEMBL5520265 0.73 TLR7 (0.51) TLR7LMNASMN1; SMN2PIK3CDPIK3CA
SCHEMBL21448923 0.73 TLR7 (0.55) TLR7ALDH1A1SMN1; SMN2PIK3CDPIK3CA
SCHEMBL7029471 0.73 TLR7 (0.51) TLR7SMN1; SMN2PIK3CDPIK3CAPIK3CB
SCHEMBL5512650 0.71 TLR7 (0.50) TLR7ALDH1A1SMN1; SMN2PIK3CDPIK3CA
SCHEMBL786666 0.71 ALDH1A1 (0.62) TLR7ALDH1A1LMNANPC1RAB9A

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-20120009141-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS PHARMASCIENCE INC. (CA) 2012-01-12 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-20120009141-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS BIRC5, BIRC7, BIRC2 TLR7 3296/4885ALDH1A1 4182/4885LMNA 2469/4885

“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.