SCHEMBL770345

SCHEMBL770345

COC(=O)CCS(=O)(=O)N1CCCC2CCCC=C21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.37
ALDH1A1 P00352 7/20 0.36
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
GLA P06280 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
OPRD1 P41143 1/20 0.31

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
SCHEMBL771792 0.93 ALDH1A1 (0.35) SMYD3ALDH1A1MMP8MMP12MMP13
SCHEMBL770324 0.85 HTT (0.32) ALDH1A1MMP8MMP12MMP13HTT
SCHEMBL770852 0.80 FFAR4 (0.33) ALDH1A1HRH3
SCHEMBL770148 0.76 POLB (0.40) ALDH1A1SMN1; SMN2POLBTSHRHTT
SCHEMBL770552 0.76 ALDH1A1 (0.37) SMYD3ALDH1A1HRH3PKMHSD17B10
SCHEMBL771132 0.76 POLB (0.40) ALDH1A1SMN1; SMN2POLBTSHRHTT
SCHEMBL770150 0.76 POLB (0.40) ALDH1A1SMN1; SMN2POLBTSHRHTT
SCHEMBL770874 0.76 NPC1 (0.47) ALDH1A1SMN1; SMN2POLBHTTKMT2A
SCHEMBL770641 0.74 CHRM2 (0.35) ALDH1A1SMN1; SMN2POLBKMT2AMEN1
SCHEMBL772409 0.74 KMT2A (0.50) ALDH1A1SMN1; SMN2HSD17B10POLBKMT2A

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 SMYD3 3969/4885ALDH1A1 144/4885MMP8 1987/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 SMYD3 4002/4885ALDH1A1 142/4885MMP8 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.