SCHEMBL2810499

SCHEMBL2810499

C=C[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)N(C(=O)CCCCCCC(=O)OC)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NR5A2 O00482 1/20 0.32
NR5A1 Q13285 1/20 0.32
CACNA1C Q13936 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA5A P35218 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CA13 Q8N1Q1 2/20 0.31
CA14 Q9ULX7 2/20 0.31
EPHX2 P34913 1/20 0.31
MAPT P10636 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL2806600 1.00 LMNA (0.34) LMNAALDH1A1NR5A2NR5A1CACNA1C
SCHEMBL2809074 1.00 LMNA (0.34) LMNAALDH1A1NR5A2NR5A1CACNA1C
SCHEMBL2862645 0.86 TLR2 (0.30)
SCHEMBL2812383 0.81 PDE4A (0.33)
SCHEMBL2810565 0.79 ALDH1A1 (0.39) LMNAALDH1A1EPHX2
SCHEMBL2806597 0.76 PTPRC (0.38) ALDH1A1CA12CA1CA2CA4
SCHEMBL2809073 0.76 PTPRC (0.38) ALDH1A1CA12CA1CA2CA4
SCHEMBL2809070 0.76 PTPRC (0.38) ALDH1A1CA12CA1CA2CA4
SCHEMBL2805469 0.76 PTPRC (0.38) ALDH1A1CA12CA1CA2CA4
SCHEMBL2810495 0.76 PTPRC (0.38) ALDH1A1CA12CA1CA2CA4

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-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 LMNA 3516/4885ALDH1A1 302/4885NR5A2 2558/4885

“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.