SCHEMBL14426582

SCHEMBL14426582

Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 11/20 0.76
KMT2A Q03164 10/20 0.76
MEN1 O00255 8/20 0.76
MAPT P10636 7/20 0.76
POLB P06746 7/20 0.76
PKM P14618 6/20 0.76
KDM4E B2RXH2 6/20 0.76
APEX1 P27695 5/20 0.76
ALDH1A1 P00352 4/20 0.76
CTDSP1 Q9GZU7 4/20 0.76
L3MBTL1 Q9Y468 4/20 0.76
PTGES O14684 1/20 0.76
BLM P54132 7/20 0.74
ITGB2 P05107 2/20 0.73
ITGAM P11215 2/20 0.73
HPGD P15428 2/20 0.72
RECQL P46063 2/20 0.72
ESR1 P03372 1/20 0.72
DNMT1 P26358 1/20 0.72
MCL1 Q07820 1/20 0.72

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
SCHEMBL30657779 1.00 TDP1 (0.76) TDP1KMT2AMEN1MAPTPOLB
SCHEMBL29901208 0.91 LCK (0.86) TDP1KMT2AMEN1MAPTPOLB
SCHEMBL14426579 0.91 LCK (0.86) TDP1KMT2AMEN1MAPTPOLB
SCHEMBL14426591 0.86 ITGB2 (0.78) TDP1KMT2AMEN1MAPTPOLB
SCHEMBL29439068 0.86 ITGB2 (0.78) TDP1KMT2AMEN1MAPTPOLB
SCHEMBL14291886 0.86 ITGB2 (0.78) TDP1KMT2AMEN1MAPTPOLB
SCHEMBL14426593 0.85 KMT2A (1.00) TDP1KMT2AMEN1MAPTPOLB
SCHEMBL46257 0.84 ITGB2 (1.00) TDP1KMT2AMEN1MAPTPOLB
SCHEMBL14426456 0.84 LCK (1.00) TDP1KMT2AMEN1MAPTPOLB
SCHEMBL14291479 0.82 KMT2A (0.80) TDP1KMT2AMEN1MAPTPOLB

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-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-08-23 US disclosed
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-08-23 US disclosed
US-20070099970-A1 Immunomodulatory compounds that target and inhibit the pY'binding site of tyrosene kinase p56 LCK SH2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-05-03 US disclosed
US-20070099970-A1 Immunomodulatory compounds that target and inhibit the pY'binding site of tyrosene kinase p56 LCK SH2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-05-03 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-20070099970-A1 Immunomodulatory compounds that target and inhibit the pY'binding site of tyrosene kinase p56 LCK SH2 domain LCK, PTPN6, PTPN22 TDP1 1445/4885KMT2A 2476/4885MEN1 4192/4885
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain LCK, PTPN6, PTPN22 TDP1 1445/4885KMT2A 2476/4885MEN1 4192/4885

“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.