SCHEMBL13154162

SCHEMBL13154162

CCC(C)C(=O)C[C@@H](Cc1ccccc1F)NC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
RIPK1 Q13546 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MEN1 O00255 3/20 0.35
DPP4 P27487 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
GAA P10253 2/20 0.34
SCN9A Q15858 1/20 0.34
SLC1A2 P43004 1/20 0.34

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
SCHEMBL888773 0.90 CTSS (0.41) CTSSCTSKALDH1A1POLBKMT2A
SCHEMBL8917906 0.84 CTSS (0.41) CTSSCTSKALDH1A1POLBKMT2A
SCHEMBL755370 0.83 CTSS (0.45) CTSSCTSKALDH1A1KMT2AL3MBTL1
SCHEMBL890178 0.83 CTSS (0.42) CTSSCTSKALDH1A1KMT2AL3MBTL1
SCHEMBL18526772 0.83 CTSS (0.45) CTSSCTSKALDH1A1KMT2AL3MBTL1
SCHEMBL8908068 0.80 CTSS (0.45) CTSSCTSKALDH1A1KMT2AL3MBTL1
SCHEMBL12824373 0.74 ALDH1A1 (0.41) CTSSCTSKALDH1A1POLBKMT2A
SCHEMBL888811 0.72 CTRB1 (0.52) ALDH1A1CYP3A4CYP2C19
SCHEMBL12361737 0.72 CTRB1 (0.52) ALDH1A1CYP3A4CYP2C19
SCHEMBL22606217 0.72 ALDH1A1 (0.41) CTSSCTSKALDH1A1KMT2ARIPK1

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-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 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-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 CTSS 2269/4885CTSK 2268/4885ALDH1A1 250/4885

“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.