SCHEMBL1710571

SCHEMBL1710571

NCCCc1cccc(S(=O)(=O)NC2CCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
HTR6 P50406 2/20 0.52
ALDH1A1 P00352 7/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 3/20 0.50
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 2/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL3389722 0.99 ALDH1A1 (0.53) LMNAHTR6ALDH1A1KMT2AKDM4E
SCHEMBL13432804 0.85 ALDH1A1 (0.58) LMNAALDH1A1KMT2AKDM4ERECQL
SCHEMBL1710727 0.82 LMNA (0.55) LMNAALDH1A1KMT2AKDM4EHTT
SCHEMBL15899804 0.80 ALDH1A1 (0.55) LMNAHTR6ALDH1A1KMT2AKDM4E
SCHEMBL925251 0.80 ALDH1A1 (0.61) LMNAALDH1A1KMT2AKDM4ERECQL
SCHEMBL14376189 0.78 ALDH1A1 (0.56) LMNAALDH1A1KMT2AKDM4ERECQL
SCHEMBL27885422 0.78 ALDH1A1 (0.52) LMNAHTR6ALDH1A1KMT2AKDM4E
SCHEMBL3389805 0.78 ALDH1A1 (0.53) LMNAALDH1A1KMT2AKDM4ERECQL
SCHEMBL13432436 0.77 ALDH1A1 (0.55) LMNAALDH1A1KMT2AKDM4ERECQL
SCHEMBL3387845 0.76 HTR6 (0.46) HTR6ALDH1A1KMT2ASMN1; 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 LMNA 3498/4885HTR6 1538/4885ALDH1A1 314/4885

“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.