SCHEMBL5131291

SCHEMBL5131291

COc1cc(C)c(S(=O)(=O)N2Cc3ccccc3CC2COCC(=O)N2CCC(O)(c3cccnc3)CC2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.38
BDKRB1 P46663 5/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL5131290 1.00 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5132545 0.92 MEN1 (0.41) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5132122 0.90 ALDH1A1 (0.44) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5132124 0.90 ALDH1A1 (0.44) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3818678 0.87 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5122571 0.86 MEN1 (0.50) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3809047 0.86 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5132139 0.86 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3817064 0.86 EPHX2 (0.38) MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL5128006 0.85 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US claimed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 ALDH1A1 2737/4885LMNA 1324/4885MEN1 1340/4885

“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.