SCHEMBL1098375

SCHEMBL1098375

O=C1Nc2ccc(S(=O)(=O)Cl)c3cccc1c23

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.68
CDK5R1 Q15078 1/20 0.68
KDM4E B2RXH2 8/20 0.67
ALDH1A1 P00352 8/20 0.67
HPGD P15428 6/20 0.67
HSD17B10 Q99714 6/20 0.63
CASP1 P29466 5/20 0.63
CASP7 P55210 5/20 0.63
HTT P42858 1/20 0.63
USP2 O75604 1/20 0.63
ALOX15 P16050 1/20 0.63
TSHR P16473 1/20 0.63
POLB P06746 3/20 0.60
GAA P10253 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
GLA P06280 1/20 0.60
ALPL P05186 1/20 0.59
RORC P51449 2/20 0.57
KLK7 P49862 1/20 0.56

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
SCHEMBL11651866 0.94 CDK5 (0.59) CDK5CDK5R1KDM4EALDH1A1HPGD
SCHEMBL18048830 0.84 CDK5 (0.68) CDK5CDK5R1KDM4EALDH1A1HPGD
SCHEMBL9450612 0.84 CDK5 (0.72) CDK5CDK5R1KDM4EALDH1A1HPGD
SCHEMBL4024272 0.84 CDK5 (0.68) CDK5CDK5R1KDM4EALDH1A1HPGD
SCHEMBL29437355 0.84 CDK5 (0.68) CDK5CDK5R1KDM4EALDH1A1HPGD
SCHEMBL9450624 0.83 KDM4E (0.73) CDK5CDK5R1KDM4EALDH1A1HPGD
SCHEMBL1097083 0.83 CDK5 (0.66) CDK5CDK5R1KDM4EALDH1A1HPGD
SCHEMBL15798277 0.81 CDK5 (1.00) CDK5CDK5R1KDM4EALDH1A1HPGD
SCHEMBL6069376 0.80 KDM4E (0.45) CDK5CDK5R1KDM4EALDH1A1HPGD
SCHEMBL13940909 0.80 RORC (0.86) CDK5CDK5R1KDM4EALDH1A1HPGD

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-8153410-B2 Alternate morpheein forms of allosteric proteins as a target for the development of bioactive molecules FOX CHASE CANCER CENTER (US) 2012-04-10 US disclosed
US-8153410-B2 Alternate morpheein forms of allosteric proteins as a target for the development of bioactive molecules FOX CHASE CANCER CENTER (US) 2012-04-10 US disclosed
US-20090048324-A1 ALTERNATE MORPHEEIN FORMS OF ALLOSTERIC PROTEINS AS A TARGET FOR THE DEVELOPMENT OF BIOACTIVE MOLECULES FOX CHASE CANCER CENTER (US) 2009-02-19 US disclosed
US-20090048324-A1 ALTERNATE MORPHEEIN FORMS OF ALLOSTERIC PROTEINS AS A TARGET FOR THE DEVELOPMENT OF BIOACTIVE MOLECULES FOX CHASE CANCER CENTER (US) 2009-02-19 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-20090048324-A1 ALTERNATE MORPHEEIN FORMS OF ALLOSTERIC PROTEINS AS A TARGET FOR THE DEVELOPMENT OF BIOACTIVE MOLECULES BMP2, BMP1, MYOF CDK5 930/4885CDK5R1 1388/4885KDM4E 3883/4885

“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.