SCHEMBL13432804

SCHEMBL13432804

NCc1cccc(S(=O)(=O)NC2CCCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
LMNA P02545 5/20 0.58
KMT2A Q03164 1/20 0.58
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RECQL P46063 1/20 0.54
TSHR P16473 3/20 0.54
CYP3A4 P08684 1/20 0.54
HTT P42858 3/20 0.52
HPGD P15428 3/20 0.52
MAPK1 P28482 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
BRD4 O60885 2/20 0.50
GAA P10253 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL15899804 0.93 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL3389722 0.87 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL925251 0.86 ALDH1A1 (0.61) ALDH1A1LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL20946378 0.85 SMN1; SMN2 (0.71) ALDH1A1LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL1710571 0.85 LMNA (0.54) ALDH1A1LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL3389805 0.83 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL13432436 0.83 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL14376189 0.81 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL18151626 0.78 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL13469348 0.78 ALDH1A1 (0.58) ALDH1A1LMNAKMT2AKDM4ESMN1; 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
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP claimed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 WO 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 ALDH1A1 314/4885LMNA 3498/4885KMT2A 2843/4885

“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.