SCHEMBL14072016

SCHEMBL14072016

Cc1nc(C(=O)O)[nH]c(=O)c1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
PIN1 Q13526 1/20 0.40
POLB P06746 3/20 0.38
KDM4E B2RXH2 4/20 0.36
CYP2C9 P11712 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
PTPRB P23467 1/20 0.36
PDE10A Q9Y233 1/20 0.34
HPGD P15428 3/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
XDH P47989 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
SCHEMBL14079845 0.82 KMT2A (0.40) LMNAALDH1A1KMT2APOLBKDM4E
SCHEMBL14072038 0.77 LMNA (0.40) LMNAALDH1A1KMT2APIN1POLB
SCHEMBL3318225 0.76 LMNA (0.45) LMNAALDH1A1PIN1KDM4ECYP2C9
SCHEMBL14072017 0.73 L3MBTL1 (0.59) LMNAALDH1A1PIN1POLBKDM4E
SCHEMBL15556135 0.72 LMNA (0.42) LMNAALDH1A1PIN1KDM4ECYP2C9
SCHEMBL14072066 0.72 PIN1 (0.39) LMNAALDH1A1KMT2APIN1POLB
SCHEMBL14072064 0.71 ALDH1A1 (0.39) LMNAALDH1A1PIN1POLBKDM4E
SCHEMBL172127 0.70 ALDH1A1 (0.58) LMNAALDH1A1KMT2APOLBKDM4E
SCHEMBL14072060 0.70 ALDH1A1 (0.64) LMNAALDH1A1KMT2APOLBCYP2C9
SCHEMBL4934076 0.70 LMNA (0.37) LMNAALDH1A1PIN1POLBKDM4E

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 LMNA 2517/4885ALDH1A1 2056/4885KMT2A 2370/4885
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP13, MMP11, MMP3 LMNA 1948/4885ALDH1A1 1569/4885KMT2A 2443/4885

“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.