SCHEMBL21170283

SCHEMBL21170283

O=NCc1cc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 3/20 0.66
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
ALDH1A1 P00352 5/20 0.58
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2D6 P10635 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.46
INSR P06213 1/20 0.45
IGF1R P08069 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL19329451 0.78 CASP6 (0.82) CASP6MEN1KMT2AALDH1A1CYP1A2
SCHEMBL1143141 0.74 MEN1 (0.76) CASP6MEN1KMT2AALDH1A1CYP1A2
SCHEMBL7937679 0.74 MEN1 (0.68) CASP6MEN1KMT2AALDH1A1CYP1A2
SCHEMBL19329387 0.72 CASP6 (0.59) CASP6MEN1KMT2AALDH1A1CYP1A2
SCHEMBL1039064 0.71 MEN1 (0.71) CASP6MEN1KMT2AALDH1A1CYP1A2
SCHEMBL19329318 0.70 CASP6 (0.68) CASP6MEN1KMT2AALDH1A1CYP1A2
SCHEMBL26715282 0.69 MEN1 (0.67) CASP6MEN1KMT2AALDH1A1CYP1A2
SCHEMBL5282343 0.68 CASP6 (0.54) CASP6MEN1KMT2AALDH1A1CYP1A2
SCHEMBL19329522 0.67 CASP6 (0.61) CASP6MEN1KMT2AALDH1A1CYP1A2
SCHEMBL19329380 0.67 CASP6 (0.61) CASP6MEN1KMT2AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190218308-A1 RESTORATION OF T CELL ACTIVITY VIA THE CD39/CD73 AXIS INNATE PHARMA (FR) 2019-07-18 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-20190218308-A1 RESTORATION OF T CELL ACTIVITY VIA THE CD39/CD73 AXIS ENTPD5, ENTPD1, ENTPD2 CASP6 950/4885MEN1 2832/4885KMT2A 1709/4885

“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.