SCHEMBL770758

SCHEMBL770758

O=C(CCCSC(=O)N1CCC2CCCC=C2C1)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP2C19 P33261 1/20 0.38
PDE4B Q07343 1/20 0.36
USP30 Q70CQ3 1/20 0.36
NOTUM Q6P988 1/20 0.35
HTT P42858 1/20 0.35
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
TGM2 P21980 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
PREP P48147 2/20 0.34
EPHX2 P34913 1/20 0.34
ENPP2 Q13822 1/20 0.34
CCKBR P32239 1/20 0.34
CCR1 P32246 1/20 0.33
HTR4 Q13639 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
SCHEMBL770035 0.81 FAAH (0.40) SMN1; SMN2NPC1RAB9ACYP2C19NOTUM
SCHEMBL770759 0.77 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ACYP2C19NOTUM
SCHEMBL770036 0.72 NPC1 (0.48) SMN1; SMN2NPC1RAB9APREP
SCHEMBL770736 0.70 ALDH1A1 (0.49) RAB9AFAAHALDH1A1POLB
SCHEMBL770436 0.69 HTT (0.49) SMN1; SMN2HTTALDH1A1POLB
SCHEMBL771131 0.69 L3MBTL1 (0.51) CYP2C19HTTFAAHMGLLPOLB
SCHEMBL769789 0.68 NPC1 (0.42) SMN1; SMN2NPC1HTTMAPTALDH1A1
SCHEMBL770401 0.68 LMNA (0.39) SMN1; SMN2NPC1HTTMAPTALDH1A1
SCHEMBL771656 0.68 MAPK1 (0.36) SMN1; SMN2NPC1PDE4BHTTMAPT
SCHEMBL770338 0.68 GLA (0.42) NPC1RAB9APDE4BALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SMN1; SMN2 3653/4885NPC1 97/4885RAB9A 2187/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 SMN1; SMN2 3637/4885NPC1 104/4885RAB9A 2217/4885

“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.