SCHEMBL770035

SCHEMBL770035

O=C(CCCSC(=O)N1CCCC2CCCC=C21)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
NOTUM Q6P988 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 1/20 0.36
HTR4 Q13639 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX2 P34913 1/20 0.35
PREP P48147 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2C19 P33261 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL770758 0.81 SMN1; SMN2 (0.39) FAAHMGLLNOTUMSMN1; SMN2HTR4
SCHEMBL770583 0.77
SCHEMBL770036 0.76 NPC1 (0.48) SMN1; SMN2NPC1RAB9APREPNPSR1
SCHEMBL28150248 0.75 NPC1 (0.49) SMN1; SMN2KMT2ANPC1RAB9APREP
SCHEMBL770759 0.73 SMN1; SMN2 (0.42) FAAHMGLLNOTUMSMN1; SMN2NPC1
SCHEMBL770041 0.69 RAB9A (0.42) NOTUMSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL771465 0.67 LMNA (0.41) SMN1; SMN2PREPLMNA
SCHEMBL11043206 0.66 NAAA (0.51) MGLLKDM4EKMT2AEPHX2ALDH1A1
SCHEMBL2824470 0.66 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1LMNA
SCHEMBL770952 0.66 ALDH1A1 (0.48) FAAHSMN1; SMN2KMT2ARAB9AALDH1A1

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 FAAH 184/4885MGLL 690/4885NOTUM 369/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 FAAH 187/4885MGLL 704/4885NOTUM 375/4885

“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.