SCHEMBL17211757

SCHEMBL17211757

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
WDR5 P61964 1/20 0.46
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
KDR P35968 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.41
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.39
BRD4 O60885 3/20 0.39
THRA P10827 1/20 0.39

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
SCHEMBL17211728 0.94 TDP1 (0.43) TDP1WDR5HPGDMEN1KMT2A
SCHEMBL29796759 0.91 TPMT (0.47) TDP1WDR5HPGDMEN1KMT2A
SCHEMBL27101332 0.91 TDP1 (0.43) TDP1WDR5HPGDMEN1KMT2A
SCHEMBL20399241 0.91 TPMT (0.47) TDP1WDR5HPGDMEN1KMT2A
SCHEMBL17211763 0.90 THRA (0.46) TDP1WDR5HPGDAURKAAURKB
SCHEMBL21624507 0.89 FABP4 (0.46) TDP1WDR5HPGDMEN1KMT2A
SCHEMBL21624535 0.89 WDR5 (0.48) TDP1WDR5HPGDMEN1KMT2A
SCHEMBL475722 0.87 HPGD (0.53) TDP1WDR5HPGDMEN1KMT2A
SCHEMBL17211712 0.85 THRA (0.42) TDP1WDR5HPGDAURKAAURKB
SCHEMBL411794 0.84 POLB (0.55) WDR5HPGDMEN1KMT2AMAPT

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
EP-2931280-B1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS INC (US) 2018-02-14 EP disclosed
US-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 US disclosed
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 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-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CAMKK2 TDP1 1869/4885WDR5 2059/4885HPGD 4210/4885

“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.