SCHEMBL13634259

SCHEMBL13634259

CCCC(=O)N1CCS(=O)(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNB3 Q05901 1/20 0.42
CHRNA6 Q15825 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
GNAI3 P08754 5/20 0.35
GNAI1 P63096 5/20 0.35
GNAO1 P09471 4/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12424223 0.88 L3MBTL1 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL11408269 0.84 ALDH1A1 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL18557477 0.77 L3MBTL1 (0.58) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL6052875 0.76 CPN1 (0.38)
SCHEMBL13623957 0.76 MEN1 (0.33) MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL6162375 0.74 CPN1 (0.37)
SCHEMBL10291288 0.74 L3MBTL1 (0.65) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL674671 0.74
SCHEMBL10663507 0.74 L3MBTL1 (0.58) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13040144 0.73 CYP1A2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 CHRNB2 4197/4885CHRNA3 4213/4885CHRNA4 4451/4885

“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.