SCHEMBL801547

SCHEMBL801547

N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
KMT2A Q03164 10/20 0.58
MAPT P10636 5/20 0.58
MEN1 O00255 6/20 0.56
TDP1 Q9NUW8 5/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
CYP3A4 P08684 2/20 0.56
HPGD P15428 2/20 0.56
PKM P14618 2/20 0.56
PSMD14 O00487 1/20 0.56
RGS12 O14924 1/20 0.56
GMNN O75496 1/20 0.56
EGFR P00533 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL783008 1.00 MAPK1 (0.60) MAPK1SMN1; SMN2CA12CA1CA2
SCHEMBL801206 0.79 MAPT (0.51) MAPK1SMN1; SMN2CA12CA1CA2
SCHEMBL28552143 0.78 CA12 (0.73) MAPK1SMN1; SMN2CA12CA1CA2
SCHEMBL783130 0.74 CA12 (0.46) MAPK1SMN1; SMN2CA12CA1CA2
SCHEMBL6653148 0.74 ALDH1A1 (0.65) MAPK1CA12CA1CA2CA9
SCHEMBL6653154 0.74 ALDH1A1 (0.65) MAPK1CA12CA1CA2CA9
Tyrphostin Ag 494 SCHEMBL15362064 0.74 KMT2A (0.74) MAPK1SMN1; SMN2KMT2AMAPTMEN1
Tyrphostin Ag 494 SCHEMBL20645572 0.74 KMT2A (0.74) MAPK1SMN1; SMN2KMT2AMAPTMEN1
Alpha-Cyano-4-Hydroxycinnamic Acid SCHEMBL26825 0.73 KDM4E (1.00) KMT2AMEN1ALDH1A1KDM4ECYP3A4
Alpha-Cyano-4-Hydroxycinnamic Acid SCHEMBL26826 0.73 KDM4E (1.00) KMT2AMEN1ALDH1A1KDM4ECYP3A4

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 4 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
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

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 MAPK1 3494/4885SMN1; SMN2 4474/4885CA12 3623/4885

“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.