SCHEMBL770707

SCHEMBL770707

O=C(Cc1ccsc1)NCCC(=O)N1CCCC2CCCC=C21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PTBP1 P26599 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NAAA Q02083 1/20 0.34
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 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
SCHEMBL770260 0.85 ALDH1A1 (0.46) SIGMAR1ALDH1A1
SCHEMBL770000 0.82 POLB (0.44) SIGMAR1TSHRALDH1A1RAB9APOLB
SCHEMBL769804 0.82 SIGMAR1 (0.47) SIGMAR1ALDH1A1
SCHEMBL769890 0.80 ATM (0.49) SIGMAR1ALDH1A1
SCHEMBL771395 0.80 OPRD1 (0.36) ALDH1A1POLBOPRD1
SCHEMBL770673 0.79 MTNR1A (0.34) ALDH1A1MAPTOPRD1
SCHEMBL771368 0.78 HPGD (0.50) ALDH1A1TDP1RAB9APOLBNPC1
SCHEMBL771680 0.78 DPP4 (0.32) ALDH1A1
SCHEMBL771986 0.77 MEN1 (0.52) TSHRALDH1A1RAB9A
SCHEMBL771492 0.77 ALDH1A1 (0.42) ALDH1A1

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 SIGMAR1 3447/4885TSHR 3844/4885ALDH1A1 144/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 SIGMAR1 3410/4885TSHR 3858/4885ALDH1A1 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.