SCHEMBL782086

SCHEMBL782086

O=C(CCl)Nc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 8/20 0.50
MEN1 O00255 7/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MITF O75030 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
XBP1 P17861 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NOD2 Q9HC29 1/20 0.47
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL22832993 0.96 KMT2A (0.54) GAAPKML3MBTL1KMT2AMEN1
SCHEMBL18778626 0.88 MEN1 (0.56) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL18763045 0.84 NNMT (0.57) ALDH1A1LMNAMAPT
SCHEMBL2113107 0.82 ALDH1A1 (0.60) L3MBTL1KMT2AMEN1NPC1RAB9A
SCHEMBL31022670 0.82 ALDH1A1 (0.60) L3MBTL1KMT2AMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL9320149 0.80 ALDH1A1 (0.59) L3MBTL1KMT2AMEN1NPC1RAB9A
SCHEMBL2940113 0.80 ALDH1A1 (0.65) KMT2AMEN1NPC1RAB9AMITF
SCHEMBL1808155 0.80 GAA (0.56) GAAPKML3MBTL1KMT2AMEN1
SCHEMBL29141123 0.80 KMT2A (0.56) GAAPKML3MBTL1KMT2AMEN1
SCHEMBL5705415 0.78 GAA (0.54) GAAPKML3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193696-B2 Carboxylic acid type water-soluble sulfur dye DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2015-11-24 US disclosed
US-20150065707-A1 CARBOXYLIC ACID TYPE WATER-SOLUBLE SULFUR DYE DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2015-03-05 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
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 (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-20150065707-A1 CARBOXYLIC ACID TYPE WATER-SOLUBLE SULFUR DYE LPO, LDHA, ALOX5 GAA 2772/4885PKM 3885/4885L3MBTL1 85/4885
US-20120070856-A1 CROSS-LINKING AGENTS ORC3, TXN, PROC GAA 4877/4885PKM 4642/4885L3MBTL1 1514/4885

“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.