SCHEMBL5131871

SCHEMBL5131871

O=C(COCC1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCC(O)(c2cccnc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BDKRB1 P46663 1/20 0.43
LMNA P02545 3/20 0.40
NAMPT P43490 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRM5 P41594 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5128012 0.92 BDKRB1 (0.43) ALDH1A1BDKRB1LMNAPOLBSMN1; SMN2
SCHEMBL5122571 0.90 MEN1 (0.50) ALDH1A1MEN1KMT2ALMNANAMPT
SCHEMBL5128428 0.88 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ABDKRB1LMNA
SCHEMBL5126144 0.88 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNANAMPT
SCHEMBL5126152 0.88 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNANAMPT
SCHEMBL5132124 0.88 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNAPKM
SCHEMBL5132122 0.88 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNAPKM
Hydrochloric Acid SCHEMBL5129387 0.87 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNANAMPT
SCHEMBL5131574 0.87 LMNA (0.49) ALDH1A1MEN1KMT2ALMNANAMPT
SCHEMBL5121906 0.86 LMNA (0.47) ALDH1A1MEN1KMT2ALMNANAMPT

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 2737/4885MEN1 1340/4885KMT2A 2892/4885

“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.