SCHEMBL770685

SCHEMBL770685

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.42
NFE2L2 Q16236 3/20 0.42
ALOX12 P18054 4/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
FKBP1A P62942 2/20 0.40
HPGD P15428 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
QPCT Q16769 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL770954 0.93 ALDH1A1 (0.42) ALOX12ALDH1A1LMNAHPGDKMT2A
SCHEMBL771634 0.90 KEAP1 (0.48) KEAP1NFE2L2LMNAFKBP1AHPGD
SCHEMBL771584 0.87 ALDH1A1 (0.47) ALOX12ALDH1A1LMNAFKBP1AHPGD
SCHEMBL771344 0.87 KEAP1 (0.46) KEAP1NFE2L2LMNAFKBP1AHPGD
SCHEMBL770425 0.85 KDM1A (0.46) ALDH1A1KMT2AMEN1
SCHEMBL770429 0.83 EPHX1 (0.47) KEAP1NFE2L2ALDH1A1LMNAHPGD
SCHEMBL770888 0.82 ADAMTS4 (0.35) KEAP1NFE2L2ALOX12ALDH1A1HPGD
SCHEMBL771393 0.82 KMT2A (0.41) KEAP1NFE2L2ALOX12ALDH1A1LMNA
SCHEMBL769890 0.82 ATM (0.49) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL771768 0.81 CCR3 (0.47) ALDH1A1LMNAKMT2AMEN1POLB

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 KEAP1 431/4885NFE2L2 1015/4885ALOX12 328/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KEAP1 441/4885NFE2L2 1047/4885ALOX12 333/4885

“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.