SCHEMBL2436014

SCHEMBL2436014

CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Cl

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.66
TDP1 Q9NUW8 3/20 0.62
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 2/20 0.51
GAA P10253 3/20 0.50
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
CASP6 P55212 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TNF P01375 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
CDK1 P06493 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL11481936 0.84 GAA (0.57) RORCTDP1MEN1KMT2ALMNA
SCHEMBL30088674 0.81 L3MBTL1 (0.55) TDP1MEN1KMT2AMAPTPOLB
SCHEMBL30695607 0.78 MAPT (0.47) RORCKMT2ALMNAGAAMAPT
SCHEMBL29155547 0.78 MAPT (0.47) RORCKMT2ALMNAGAAMAPT
SCHEMBL13763482 0.78 TDP1 (0.70) RORCTDP1MEN1KMT2ALMNA
SCHEMBL10874979 0.78 TDP1 (0.70) RORCTDP1MEN1KMT2ALMNA
SCHEMBL5953095 0.78 TDP1 (0.70) RORCTDP1MEN1KMT2ALMNA
SCHEMBL2972710 0.77 TDP1 (1.00) RORCTDP1MEN1KMT2ALMNA
SCHEMBL1817574 0.77 ALDH1A1 (0.53) RORCTDP1MEN1KMT2AMAPT
SCHEMBL11971474 0.77 TDP1 (0.68) RORCTDP1MEN1KMT2ALMNA

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
CN-117244523-A Heavy metal remover for mariculture water body and preparation method thereof 陈叶寒 2023-12-19 CN disclosed
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO 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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 RORC 2262/4885TDP1 606/4885MEN1 2485/4885

“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.