SCHEMBL3386695

SCHEMBL3386695

CC(C)(C)OC(=O)NCCCc1cccc(S(=O)(=O)NC2CCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 2/20 0.48
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
CA2 P00918 3/20 0.46
CA1 P00915 2/20 0.46
EPHX1 P07099 2/20 0.43
ACACB O00763 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL1710727 0.84 LMNA (0.55) LMNAALDH1A1KMT2AADRB2ADRB1
SCHEMBL13400331 0.82 LMNA (0.48) LMNAALDH1A1KMT2AADRB2ADRB1
SCHEMBL1725420 0.80 CA2 (0.47) KMT2ACA2CA1GAASIGMAR1
SCHEMBL28302135 0.80 LMNA (0.47) LMNAALDH1A1KMT2AADRB2ADRB1
SCHEMBL611537 0.77 SIGMAR1 (0.48) CA2CA1ACACBSIGMAR1CYP3A4
SCHEMBL2151236 0.77 CA1 (0.45) LMNAALDH1A1CA2CA1EPHX1
SCHEMBL13400252 0.77 ALDH1A1 (0.50) LMNAALDH1A1KMT2AACACBSMN1; SMN2
SCHEMBL10237700 0.77 SIGMAR1 (0.43) EPHX1SIGMAR1CYP3A4
SCHEMBL611075 0.77 EPHX2 (0.46) KMT2AEPHX1SIGMAR1CYP3A4
SCHEMBL13400332 0.77 LMNA (0.49) LMNAALDH1A1KMT2AACACBSMN1; 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 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 LMNA 3498/4885ALDH1A1 314/4885KMT2A 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.