SCHEMBL3387965

SCHEMBL3387965

NCC=Cc1cccc(S(=O)(=O)NC2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
LMNA P02545 5/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 3/20 0.49
HTT P42858 3/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RECQL P46063 1/20 0.49
MAPK1 P28482 3/20 0.48
TSHR P16473 2/20 0.48
BRD4 O60885 2/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
HSP90AA1 P07900 2/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL3387961 1.00 ALDH1A1 (0.50) ALDH1A1LMNAKMT2AKDM4EHTT
SCHEMBL23677239 0.80 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AKDM4EHTT
SCHEMBL3389646 0.79 LMNA (0.47) ALDH1A1LMNAKMT2AKDM4EHTT
SCHEMBL3389642 0.79 LMNA (0.47) ALDH1A1LMNAKMT2AKDM4EHTT
SCHEMBL3386672 0.78 ALDH1A1 (0.37) ALDH1A1KMT2AKDM4ESMN1; SMN2MAPK1
SCHEMBL3386668 0.78 ALDH1A1 (0.37) ALDH1A1KMT2AKDM4ESMN1; SMN2MAPK1
SCHEMBL21240764 0.77 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AKDM4EHTT
SCHEMBL13432804 0.76 ALDH1A1 (0.58) ALDH1A1LMNAKMT2AKDM4EHTT
SCHEMBL13400332 0.76 LMNA (0.49) ALDH1A1LMNAKMT2AKDM4EHTT
SCHEMBL15651735 0.75 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AKDM4EHTT

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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 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-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.