SCHEMBL770328

SCHEMBL770328

O=C(O)CCCS(=O)(=O)N1CCC2CCCC=C2C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP5 P45974 4/20 0.34
HDAC6 Q9UBN7 3/20 0.34
ALDH1A1 P00352 5/20 0.33
IKBKB O14920 4/20 0.33
CNR1 P21554 3/20 0.32
SMYD3 Q9H7B4 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TBXA2R P21731 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
SCHEMBL771111 0.93 CNR1 (0.37) USP5HDAC6ALDH1A1IKBKBCNR1
SCHEMBL771628 0.86 ALDH1A1 (0.36) ALDH1A1IKBKBSMYD3
SCHEMBL770956 0.86 ATM (0.37) ALDH1A1MEN1KMT2A
SCHEMBL772378 0.86 ATM (0.37) ALDH1A1MEN1KMT2A
SCHEMBL771023 0.86 ATM (0.37) ALDH1A1MEN1KMT2A
SCHEMBL771013 0.84 CHRM2 (0.34) ALDH1A1IKBKB
SCHEMBL770773 0.83 POLB (0.32) ALDH1A1SMYD3
SCHEMBL771175 0.83 NPC1 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL770914 0.82 HDAC1 (0.33)
SCHEMBL770781 0.82 PDE3B (0.39) KMT2A

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 3 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-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 (1 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-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 USP5 2546/4885HDAC6 2411/4885ALDH1A1 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.