SCHEMBL14072012

SCHEMBL14072012

CN1CCC2(CCc3c(sc4nc(C(=O)O)[nH]c(=O)c34)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
PARP14 Q460N5 1/20 0.45
BRD4 O60885 4/20 0.41
BRD2 P25440 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL14080073 0.90 PARP14 (0.44) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL14072010 0.87 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL14080067 0.81 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8199240 0.81 BRD4 (0.61) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL14072071 0.79 GABRP (0.44) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL14072078 0.79 GABRP (0.49) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL4383240 0.75 ALDH1A1 (0.69) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8190292 0.75 ALDH1A1 (0.65) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8202194 0.74 HSD17B10 (0.51) KDM4EALDH1A1HPGDHSD17B10GAA
Water SCHEMBL11479741 0.74 ALDH1A1 (0.67) KDM4EALDH1A1HPGDHSD17B10GAA

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
WO-2008109178-A1 METALLOPROTEASE INHIBITORS CONTAINING A SQUARAMIDE MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221128-A1 Metalloprotease inhibitors containing a squaramide moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221128-A1 Metalloprotease inhibitors containing a squaramide moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 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-20080221128-A1 Metalloprotease inhibitors containing a squaramide moiety MMP11, MMP13, MMP14 KDM4E 685/4885ALDH1A1 2056/4885HPGD 199/4885
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP13, MMP11, MMP3 KDM4E 572/4885ALDH1A1 1569/4885HPGD 99/4885

“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.