SCHEMBL4278262

SCHEMBL4278262

CC(C(N)=O)C1(CCc2ccccc2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CYP2D6 P10635 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.37
TSHR P16473 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 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
SCHEMBL3392742 0.74 TSHR (0.43) KMT2AMEN1TSHROPRM1CYP3A4
SCHEMBL4288043 0.73 MMP1 (0.45) CTSBCTSSKMT2AMEN1TSHR
SCHEMBL2442748 0.73 ALDH1A1 (0.41) ALDH1A1OPRM1OPRL1
SCHEMBL4904163 0.72 OPRM1 (0.41) ALDH1A1OPRM1OPRL1
SCHEMBL20104705 0.71 MAOA (0.50)
SCHEMBL1824162 0.71 MAOA (0.50)
SCHEMBL21058274 0.71 MAOA (0.50)
SCHEMBL20104706 0.71 MAOA (0.50)
SCHEMBL4283830 0.71 SLC6A4 (0.51) ALDH1A1KMT2AMEN1APOBEC3AAPOBEC3G
SCHEMBL17451241 0.70 CYP2C19 (0.46) KMT2AMEN1CYP3A4CYP2C19

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-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ALDH1A1 863/4885CYP2D6 48/4885CTSB 2122/4885

“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.