SCHEMBL770888

SCHEMBL770888

O=C(CCCCNC(=S)NCC1CCCCC1)N1CCCC2CCCC=C21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 5/20 0.35
ADAMTS5 Q9UNA0 5/20 0.35
MMP8 P22894 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
NAAA Q02083 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL771278 0.97 SMN1; SMN2 (0.34) ADAMTS4ADAMTS5MMP8CHRM2CHRM4
SCHEMBL771020 0.93 SMN1; SMN2 (0.36) MMP8CHRM2CHRM4CHRM5CHRM1
SCHEMBL770270 0.87 KMT2A (0.42) SMN1; SMN2ALOX12HTT
SCHEMBL771393 0.86 KMT2A (0.41) SMN1; SMN2KEAP1NFE2L2ALDH1A1ALOX12
SCHEMBL15377790 0.84 KMT2A (0.43) SMN1; SMN2ALOX12HTT
SCHEMBL770834 0.83 QPCT (0.33) KEAP1NFE2L2ALDH1A1KDM4E
SCHEMBL770685 0.82 KEAP1 (0.42) KEAP1NFE2L2ALDH1A1MAPTALOX12
SCHEMBL772561 0.82 PKM (0.44) SMN1; SMN2ALDH1A1MAPTALOX12HTT
SCHEMBL771385 0.81 KEAP1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15377530 0.81 EPHX2 (0.51) ALDH1A1HTTHDAC3HDAC1HDAC7

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 ADAMTS4 667/4885ADAMTS5 515/4885MMP8 1987/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ADAMTS4 666/4885ADAMTS5 514/4885MMP8 1974/4885

“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.