SCHEMBL17898526

SCHEMBL17898526

C=C1CN(c2cc(-c3ccccc3)ccc2OC)S(=O)(=O)N1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.76
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTR2C P28335 2/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR6 P50406 1/20 0.36
ABCB1 P08183 1/20 0.36
DRD4 P21917 2/20 0.36
AVPR2 P30518 1/20 0.34
AVPR1A P37288 1/20 0.34
GHSR Q92847 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL17898476 0.86 PTPN1 (1.00) PTPN1MEN1KMT2APOLBHDAC1
SCHEMBL17898525 0.79 PTPN1 (0.60) PTPN1MEN1KMT2APOLBHTR2C
SCHEMBL15782174 0.75 PTPN1 (0.65) PTPN1MEN1KMT2APOLBHTR2C
SCHEMBL20169551 0.71 PTPN1 (0.56) PTPN1MEN1KMT2APOLBHTR2C
SCHEMBL6841900 0.70 PTPN1 (0.71) PTPN1DRD4DRD2DRD3
SCHEMBL6963568 0.67 HTR6 (0.65) PTPN1HTR1AHTR2AHTR6DRD2
SCHEMBL2934032 0.67 PTPN1 (0.70) PTPN1MEN1KMT2AHDAC8
SCHEMBL6685010 0.67 PTPN1 (0.67) PTPN1MEN1KMT2AHTR6GHSR
SCHEMBL17898482 0.67 PTPN1 (0.54) PTPN1MEN1KMT2APOLBHTR1A
SCHEMBL6687346 0.66 PTPN1 (0.66) PTPN1MEN1KMT2AHTR6GHSR

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-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines THE SCRIPPS RESEARCH INSTITUTE 2016-07-07 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-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines PTMS, RSU1, QSOX1 PTPN1 198/4885MEN1 4819/4885KMT2A 3014/4885

“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.