SCHEMBL14072017

SCHEMBL14072017

Cc1nc(C(=O)O)[nH]c(=O)c1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
TP53 P04637 1/20 0.59
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 2/20 0.55
LMNA P02545 2/20 0.55
RAB9A P51151 2/20 0.55
PIN1 Q13526 1/20 0.44
XDH P47989 1/20 0.44
POLB P06746 2/20 0.42
RNASEH1 O60930 1/20 0.42
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RPA1 P27694 1/20 0.40

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
SCHEMBL14079846 0.87 L3MBTL1 (0.59) L3MBTL1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL14072058 0.78 XDH (0.45) L3MBTL1TP53ALDH1A1SMN1; SMN2NPC1
Acetic Acid SCHEMBL9830111 0.78 XDH (0.60) L3MBTL1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL5272046 0.78 SMN1; SMN2 (0.47) KDM4EALDH1A1SMN1; SMN2PIN1POLB
SCHEMBL8189689 0.76 ALDH1A1 (0.70) L3MBTL1KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL14072060 0.74 ALDH1A1 (0.64) L3MBTL1TP53ALDH1A1SMN1; SMN2LMNA
SCHEMBL14072016 0.73 LMNA (0.45) KDM4EALDH1A1LMNAPIN1XDH
SCHEMBL1895299 0.72 TP53 (0.78) L3MBTL1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL14080078 0.70 XDH (0.43) L3MBTL1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL4936991 0.69 TOP2A (0.58) L3MBTL1TP53KDM4EALDH1A1MAPT

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 L3MBTL1 4667/4885TP53 4192/4885KDM4E 685/4885
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP13, MMP11, MMP3 L3MBTL1 4720/4885TP53 4098/4885KDM4E 572/4885

“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.