SCHEMBL1710979

SCHEMBL1710979

N#CCC(O)c1cccc(S(=O)(=O)NC2CCCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 3/20 0.47
HTT P42858 3/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
BRD4 O60885 2/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 1/20 0.42
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL1710760 0.85 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AKDM4EHTT
SCHEMBL13400105 0.82 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AKDM4EHTT
SCHEMBL1722336 0.82 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AKDM4EHTT
SCHEMBL13432462 0.81 ALDH1A1 (0.51) ALDH1A1LMNAKMT2AKDM4EHTT
SCHEMBL1710730 0.76 KMT2A (0.39) ALDH1A1KMT2ATSHRSMN1; SMN2CYP3A4
SCHEMBL3137067 0.74 ADRB3 (0.46) LMNAADRB2ADRB1ADRB3BRD4
SCHEMBL22062417 0.74 LMNA (0.54) ALDH1A1LMNAKMT2AKDM4EHTT
SCHEMBL28793254 0.73 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AKDM4EHTT
SCHEMBL14349658 0.73 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AKDM4EHTT
SCHEMBL925251 0.72 ALDH1A1 (0.61) 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 5 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

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.