SCHEMBL12759763

SCHEMBL12759763

CC(=O)C12CCC(c3ccc(S(=O)(=O)O)cc3)(CC1)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NT5E P21589 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
RORC P51449 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 2/20 0.34
CA7 P43166 2/20 0.34
CA14 Q9ULX7 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
CA9 Q16790 1/20 0.34
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL12759775 0.85 DGAT1 (0.36) TSHRALDH1A1SMN1; SMN2RORCTDP1
SCHEMBL16407785 0.77 MAPT (0.39) LMNATSHRALDH1A1SMN1; SMN2DGAT1
SCHEMBL12302201 0.77 PNMT (0.55) LMNATSHRALDH1A1DGAT1SOAT1
SCHEMBL1604392 0.73 DGAT1 (0.45) LMNADGAT1SOAT1
SCHEMBL21130940 0.73 PGR (0.46) TSHRALDH1A1CA1CA2CYP2D6
SCHEMBL12759755 0.73 DGAT1 (0.36) DGAT1SOAT1NPC1PNMT
SCHEMBL12759864 0.70 CYP3A4 (0.39) CYP2C19
SCHEMBL13784388 0.69 ENPP2 (0.37) DGAT1SOAT1
SCHEMBL2742120 0.67 ALDH1A1 (0.53) LMNATSHRALDH1A1NT5ESMN1; SMN2
SCHEMBL1604341 0.67 PNMT (0.52) PNMT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915252-B2 Sulfonyl compounds as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME (US) 2011-03-29 US disclosed
US-20080318930-A1 Sulfonyl Compound as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME LLC 2008-12-25 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-20080318930-A1 Sulfonyl Compound as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 HSD11B1, HSD17B1, HSD11B2 LMNA 2282/4885TSHR 3347/4885ALDH1A1 179/4885

“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.