SCHEMBL10138281

SCHEMBL10138281

COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCC(=O)N1CCCC2CCCCC21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.46
HDAC6 Q9UBN7 6/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
KMT2A Q03164 1/20 0.45
ACE P12821 3/20 0.45
ACE2 Q9BYF1 3/20 0.45
ALDH1A1 P00352 1/20 0.45
LNPEP Q9UIQ6 1/20 0.45
MDM4 O15151 1/20 0.45
MDM2 Q00987 1/20 0.45

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
SCHEMBL770809 0.80 ACE (0.54) ACEACE2ALDH1A1
SCHEMBL15386652 0.80 ACE (0.54) ACEACE2ALDH1A1
SCHEMBL770240 0.80 ACE (0.54) ACEACE2ALDH1A1
SCHEMBL771602 0.79 ACE (0.49) ATML3MBTL1KMT2AACEACE2
SCHEMBL17690709 0.79 TRPV1 (0.46)
SCHEMBL10138268 0.78 ACE (0.55) KMT2AACEACE2ALDH1A1
SCHEMBL772162 0.78 UGCG (0.44) NPSR1ACEACE2ALDH1A1
SCHEMBL772411 0.78 NPC1 (0.43) ATML3MBTL1KMT2AACEACE2
SCHEMBL803113 0.78 NPC1 (0.43) ATML3MBTL1KMT2AACEACE2
SCHEMBL770465 0.77 DPP4 (0.45) HDAC1HDAC6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 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 HDAC1 301/4885HDAC6 2405/4885ATM 3373/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 HDAC1 304/4885HDAC6 2411/4885ATM 3394/4885

“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.