SCHEMBL772095

SCHEMBL772095

O=C(NCCCNC(=S)NC12CC3CC(CC(C3)C1)C2)N1CCC2CCCCC2C1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.58
HSD11B1 P28845 1/20 0.49
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
EPHX1 P07099 1/20 0.39
LMNA P02545 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
SCHEMBL770515 0.90 EPHX2 (0.56) EPHX2HSD11B1MEN1KMT2AHTT
SCHEMBL771489 0.88 EPHX2 (0.56) EPHX2HSD11B1ALDH1A1EPHX1
SCHEMBL770745 0.87 HSD11B1 (0.49) EPHX2HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL771352 0.83 HSD11B1 (0.52) EPHX2HSD11B1ALDH1A1SMN1; SMN2EPHX1
SCHEMBL770825 0.80 KMT2A (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL772616 0.80 EPHX2 (0.58) EPHX2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL770251 0.78 KDM4E (0.41) HSD11B1ALDH1A1SMN1; SMN2HTTEPHX1
SCHEMBL770005 0.78 HDAC4 (0.37) HSD11B1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL770368 0.78 EPHX2 (0.58) EPHX2MEN1KMT2AHTTEPHX1
SCHEMBL770823 0.75 EPHX2 (0.53) EPHX2HSD11B1MEN1KMT2AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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 EPHX2 1149/4885HSD11B1 1/4885ALDH1A1 144/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 EPHX2 1153/4885HSD11B1 1/4885ALDH1A1 142/4885

“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.