SCHEMBL782947

SCHEMBL782947

N#CCC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 7/20 0.47
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 6/20 0.44
POLB P06746 1/20 0.44
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABL1 P00519 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL8627153 0.81 CYP1A2 (0.56) CYP1A2CYP2C19L3MBTL1KMT2AHTT
SCHEMBL8072208 0.78 CA12 (0.51) CYP1A2CYP2C19CA12CA1CA2
SCHEMBL11122026 0.77 CA12 (0.73) CYP1A2CYP2C19CA12CA1CA2
SCHEMBL9819103 0.76 ACP1 (0.53) CYP1A2CYP2C19CA12CA1CA2
SCHEMBL1260318 0.76 CYP1A2 (0.50) CYP1A2CYP2C19CA12CA1CA2
SCHEMBL29141123 0.76 KMT2A (0.56) GAAPKML3MBTL1KMT2AMEN1
SCHEMBL1260216 0.76 SMN1; SMN2 (0.62) GAACYP1A2CYP2C19CA12CA1
SCHEMBL782086 0.76 GAA (0.56) GAAPKML3MBTL1KMT2AHTT
SCHEMBL1808155 0.76 GAA (0.56) GAACA1CA2PKML3MBTL1
SCHEMBL11137005 0.75 ABL1 (0.51) CYP1A2CYP2C19CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070856-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2012-03-22 US disclosed
US-20120070856-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2012-03-22 US disclosed
US-20120070856-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2012-03-22 US disclosed
WO-2010100238-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-09-10 WO disclosed
EP-2226314-A1 Cross-linking agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE -CNRS- (FR) 2010-09-08 EP disclosed
US-4746740-A Isoindoline colorants BASF AKTIENGESELLSCHAFT (DE) 1988-05-24 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-20120070856-A1 CROSS-LINKING AGENTS ORC3, TXN, PROC GAA 4877/4885CYP1A2 3654/4885CYP2C19 4197/4885

“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.