SCHEMBL13400331

SCHEMBL13400331

CC(C)(C)OC(=O)NCC(O)Cc1cccc(S(=O)(=O)NC2CCCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 1/20 0.48
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
ACACB O00763 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
NPC1 O15118 1/20 0.40
NAMPT P43490 2/20 0.40

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
SCHEMBL3386695 0.82 LMNA (0.48) LMNAALDH1A1KMT2AADRB2ADRB1
SCHEMBL3389805 0.78 ALDH1A1 (0.53) LMNAALDH1A1KMT2AADRB2ADRB1
SCHEMBL13459845 0.78 SYK (0.43) ACACB
SCHEMBL29818794 0.78 SLC2A1 (0.43) ACACB
SCHEMBL4569166 0.78 SLC2A1 (0.43) ACACB
SCHEMBL3135305 0.77 EPHX1 (0.40) KMT2AACACBNPC1
SCHEMBL13400252 0.77 ALDH1A1 (0.50) LMNAALDH1A1KMT2AACACBSMN1; SMN2
SCHEMBL13400332 0.76 LMNA (0.49) LMNAALDH1A1KMT2AACACBSMN1; SMN2
SCHEMBL13400330 0.76 ALDH1A1 (0.48) LMNAALDH1A1KMT2AACACBSMN1; SMN2
SCHEMBL28302135 0.73 LMNA (0.47) LMNAALDH1A1KMT2AADRB2ADRB1

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.