SCHEMBL13615709

SCHEMBL13615709

CCC(C)(C)Cc1csc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
FABP6 P51161 1/20 0.39
SLC6A3 Q01959 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PNP P00491 1/20 0.37
PKM P14618 1/20 0.36
POLB P06746 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
SCHEMBL19049505 0.87 GAA (0.40) GAAALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL1912692 0.82 GAA (0.44) GAAALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL18995634 0.81 PKM (0.41) GAAALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL13544288 0.76 GAA (0.43) GAAALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL91500 0.74
Hydrochloric Acid SCHEMBL28061208 0.73
SCHEMBL10031019 0.72 PKM (0.51) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1107413 0.71
SCHEMBL4569256 0.71 PKM (0.44) GAAALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL23563973 0.70 SMN1; SMN2 (0.46) GAAALDH1A1SMN1; SMN2HPGDMEN1

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-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-12-10 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-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS ACE, DNPEP, TMPRSS15 GAA 76/4885ALDH1A1 3653/4885SMN1; SMN2 2337/4885

“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.