SCHEMBL771033

SCHEMBL771033

O=C(CCN1C(=O)c2ccc(F)cc2C1=O)N1CCCC2CCCC=C21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPK1 P28482 3/20 0.42
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 3/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 6/20 0.38
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL786984 0.94 ALDH1A1 (0.44) ALDH1A1MAPK1HPGDHSD17B10GAA
SCHEMBL769977 0.93 ALDH1A1 (0.43) ALDH1A1MAPK1HPGDHSD17B10KMT2A
SCHEMBL770807 0.90 HSD17B10 (0.39) ALDH1A1MAPK1HPGDHSD17B10GAA
SCHEMBL770734 0.87 ALDH1A1 (0.55) ALDH1A1MAPK1HPGDHSD17B10GAA
SCHEMBL769925 0.85 ALDH1A1 (0.40) ALDH1A1MAPK1HPGDHSD17B10GAA
SCHEMBL770859 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1HPGDHSD17B10GAA
SCHEMBL15377481 0.80 ALDH1A1 (0.55) ALDH1A1MAPK1HPGDHSD17B10GAA
SCHEMBL772471 0.80 MAPK1 (0.49) ALDH1A1MAPK1HPGDHSD17B10GAA
SCHEMBL771566 0.79 ALDH1A1 (0.42) ALDH1A1MAPK1HPGDHSD17B10GAA
SCHEMBL771312 0.79 ALDH1A1 (0.43) ALDH1A1MAPK1HPGDHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP disclosed
US-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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 (2 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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 144/4885MAPK1 401/4885HPGD 50/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885MAPK1 410/4885HPGD 50/4885

“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.