SCHEMBL5098169

SCHEMBL5098169

c1ccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)n2CC2CCCO2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
ATM Q13315 1/20 0.53
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
GAA P10253 3/20 0.43
TSHR P16473 5/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 4/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TP53 P04637 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL5104984 0.83 ALDH1A1 (0.45) CYP3A4CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL5098564 0.80 ALDH1A1 (0.54) HTTCYP3A4CYP2C9CYP2C19GAA
SCHEMBL5098618 0.77 MEN1 (0.43) HTTCYP3A4CYP2C19GAATSHR
SCHEMBL5105009 0.76 TSHR (0.59) HTTATMCYP3A4CYP2C9CYP2C19
SCHEMBL5095968 0.74 ALDH1A1 (0.46) HTTKMT2AALDH1A1MEN1TDP1
SCHEMBL5092049 0.74 HSD11B1 (0.40) CYP3A4CYP2C9CYP2C19GAATSHR
SCHEMBL5104929 0.73 MEN1 (0.46) HTTCYP3A4CYP2C9CYP2C19GAA
SCHEMBL5095855 0.70 HTT (0.51) HTTCYP3A4CYP2C9CYP2C19GAA
SCHEMBL5104580 0.69 HSD11B1 (0.47) HTTTSHRPOLBKMT2AALDH1A1
SCHEMBL14277212 0.66 ALDH1A1 (0.44) HTTGAATSHRPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME CORP. 2005-03-31 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-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia HSD11B1, HSD17B1, HSD11B2 HTT 4012/4885ATM 3642/4885CYP3A4 105/4885

“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.