SCHEMBL770954

SCHEMBL770954

O=C(CCNC(=S)NCc1ccccc1)N1CCCC2CCCC=C21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
ALOX12 P18054 4/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.41
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL770685 0.93 KEAP1 (0.42) ALDH1A1ALOX12LMNAHPGDKMT2A
SCHEMBL770429 0.90 EPHX1 (0.47) ALDH1A1LMNAHPGDDPP4DPP8
SCHEMBL771340 0.87 ALDH1A1 (0.45) ALDH1A1ALOX12LMNAKMT2AGAA
SCHEMBL770260 0.84 ALDH1A1 (0.46) ALDH1A1LMNAHPGDKMT2AGAA
SCHEMBL15377508 0.84 KDM1A (0.41) ALDH1A1LMNAKMT2AMEN1
SCHEMBL771344 0.84 KEAP1 (0.46) LMNAHPGDDPP4DPP8DPP7
SCHEMBL771368 0.83 HPGD (0.50) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL771634 0.83 KEAP1 (0.48) LMNAHPGDDPP4DPP8DPP7
SCHEMBL770800 0.82 DPP4 (0.47) ALDH1A1GAADPP4SMN1; SMN2
SCHEMBL771986 0.82 MEN1 (0.52) ALDH1A1LMNAHPGDKMT2AMEN1

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 144/4885ALOX12 328/4885LMNA 3155/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885ALOX12 333/4885LMNA 3116/4885

“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.