SCHEMBL13623957

SCHEMBL13623957

CC(C)(C)CC(=O)N1CCS(=O)(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 1/20 0.31
GRM5 P41594 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL12384297 0.89 RAB9A (0.35) MEN1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL11408269 0.79 ALDH1A1 (0.39) MEN1KMT2ARAB9A
SCHEMBL13634259 0.76 CHRNB2 (0.42) MEN1CYP3A4KMT2A
SCHEMBL23518518 0.75 ALDH1A1 (0.42) MEN1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL6052875 0.75 CPN1 (0.38)
SCHEMBL11339464 0.75 RIPK1 (0.34) MEN1KMT2ARAB9A
SCHEMBL22030320 0.74 MEN1 (0.40) MEN1CYP3A4CYP2C19KMT2AFAAH
Hydrochloric Acid SCHEMBL6162375 0.73 CPN1 (0.37)
SCHEMBL803092 0.72 CYP1A2 (0.48) CYP1A2KMT2A
SCHEMBL13040144 0.71 CYP1A2 (0.46) CYP1A2RAB9A

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-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 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-20090291921-A1 INTEGRASE INHIBITORS TYMP, DNTT, PAICS MEN1 4674/4885CYP1A2 1583/4885CYP3A4 489/4885

“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.