SCHEMBL18862467

SCHEMBL18862467

O=S(=O)(Nc1ccccc1)c1cccc2ncccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
PKLR P30613 1/20 0.57
DUSP3 P51452 1/20 0.54
PTPN5 P54829 1/20 0.54
CASP6 P55212 1/20 0.54
PTPN11 Q06124 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
TSHR P16473 4/20 0.49
PGR P06401 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL16785738 0.87 ALDH1A1 (0.56) KDM4EPKLRMEN1KMT2ALMNA
SCHEMBL21914643 0.82 TSHR (0.61) KDM4EDUSP3PTPN5CASP6PTPN11
SCHEMBL16002892 0.80 FTO (0.57) KDM4ETSHRMEN1KMT2ALMNA
SCHEMBL11679031 0.80 TSHR (0.50) KDM4EPKLRTSHRMEN1KMT2A
SCHEMBL9959446 0.78 ALDH1A1 (0.56) KDM4EDUSP3PTPN5CASP6PTPN11
SCHEMBL812673 0.77 TSHR (0.74) PTPN5TSHRPGRMEN1KMT2A
SCHEMBL31110643 0.77 TSHR (0.74) PTPN5TSHRPGRMEN1KMT2A
SCHEMBL25754637 0.77 NSD2 (0.56) KDM4ETSHRMEN1KMT2ALMNA
SCHEMBL27973531 0.76 ACLY (0.55) KDM4EDUSP3PTPN5CASP6PTPN11
SCHEMBL3670519 0.76 KDM4E (0.54) KDM4EDUSP3PTPN5CASP6PTPN11

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-20190382422-A1 SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2019-12-19 US disclosed
US-10377780-B2 Salicylic acid derivatives, pharmaceutically acceptable salt thereof, composition thereof and method of use thereof THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2019-08-13 US disclosed
US-20170267704-A1 SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-09-21 US disclosed
US-9650399-B2 Salicylic acid derivatives, pharmaceutically acceptable salt thereof, composition thereof and method of use thereof THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-05-16 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 (3 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-20190382422-A1 SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF STAT3, STAT5A, STAT6 KDM4E 2457/4885PKLR 2149/4885DUSP3 138/4885
US-20170267704-A1 SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF STAT3, STAT5A, STAT6 KDM4E 2457/4885PKLR 2149/4885DUSP3 138/4885
US-10377780-B2 Salicylic acid derivatives, pharmaceutically acceptable salt thereof, composition thereof and method of use thereof STAT3, STAT5A, STAT6 KDM4E 2457/4885PKLR 2149/4885DUSP3 138/4885

“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.