SCHEMBL5127710

SCHEMBL5127710

O=C(COCC1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CCC(O)(c2cccnc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.44
BRD2 P25440 4/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NAMPT P43490 5/20 0.42
CCR2 P41597 1/20 0.41
HSD11B1 P28845 3/20 0.41
BRD3 Q15059 3/20 0.41
BRDT Q58F21 3/20 0.41
CASP3 P42574 2/20 0.40
CASP7 P55210 2/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL5129990 0.87 MEN1 (0.45) MEN1KMT2AALDH1A1NAMPTCCR2
SCHEMBL5121906 0.86 LMNA (0.47) MEN1KMT2AALDH1A1NAMPTCASP3
SCHEMBL5128597 0.86 BRD4 (0.46) BRD4BRD2MEN1KMT2AALDH1A1
SCHEMBL3825000 0.85 ALDH1A1 (0.45) MEN1KMT2AALDH1A1NAMPTCASP3
SCHEMBL5131574 0.84 LMNA (0.49) MEN1KMT2AALDH1A1NAMPTCASP3
SCHEMBL5121787 0.84 ALDH1A1 (0.47) MEN1KMT2AALDH1A1NAMPT
SCHEMBL5128465 0.82 MEN1 (0.44) MEN1KMT2AALDH1A1NAMPT
SCHEMBL3825150 0.81 ALDH1A1 (0.47) MEN1KMT2AALDH1A1NAMPTCASP3
SCHEMBL3809047 0.81 ALDH1A1 (0.47) MEN1KMT2AALDH1A1NAMPTCASP3
Hydrochloric Acid SCHEMBL5128006 0.81 ALDH1A1 (0.46) MEN1KMT2AALDH1A1NAMPTCASP3

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 BRD4 504/4885BRD2 808/4885MEN1 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.