SCHEMBL772616

SCHEMBL772616

O=C(NCCCNC(=S)NC12CC3CC(CC(C3)C1)C2)N1CCCC2CCCCC21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.58
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
FKBP1A P62942 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL769951 0.90 EPHX2 (0.56) EPHX2MEN1KMT2ATSHRHTT
SCHEMBL769863 0.88 EPHX2 (0.56) EPHX2ALDH1A1MEN1KMT2A
SCHEMBL770872 0.88 EPHX2 (0.53) EPHX2ALDH1A1MEN1KMT2AFKBP1A
SCHEMBL771381 0.87 GBA1 (0.47) EPHX2ALDH1A1MEN1KMT2ATSHR
SCHEMBL770472 0.85 EPHX2 (0.51) EPHX2ALDH1A1TSHRSMN1; SMN2FKBP1A
SCHEMBL772465 0.84 ALDH1A1 (0.46) EPHX2ALDH1A1MEN1KMT2ATSHR
SCHEMBL770704 0.80 KMT2A (0.49) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL772095 0.80 EPHX2 (0.58) EPHX2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL770097 0.79 KMT2A (0.48) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL771320 0.78 NPC1 (0.41) EPHX2ALDH1A1TSHRSMN1; SMN2FKBP1A

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-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
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 (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-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 EPHX2 1153/4885ALDH1A1 142/4885MEN1 823/4885

“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.