SCHEMBL1722693

SCHEMBL1722693

NCC#Cc1cccc(S(=O)(=O)NC2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RECQL P46063 1/20 0.48
HTT P42858 4/20 0.47
HPGD P15428 3/20 0.47
MAPK1 P28482 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 3/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
BRD4 O60885 2/20 0.46
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL13459317 0.86 ALDH1A1 (0.54) ALDH1A1LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL1722469 0.83 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2PKM
SCHEMBL1724175 0.79 CA12 (0.38) ALDH1A1KMT2ASMN1; SMN2TSHRGAA
SCHEMBL13432804 0.78 ALDH1A1 (0.58) ALDH1A1LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL13400252 0.78 ALDH1A1 (0.50) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL22954414 0.76 MCOLN3 (0.54) ALDH1A1LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL1722470 0.76 MCOLN3 (0.68) ALDH1A1LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL18993263 0.74 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL3387961 0.73 ALDH1A1 (0.50) ALDH1A1LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL3387965 0.73 ALDH1A1 (0.50) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
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
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.