SCHEMBL16509656

SCHEMBL16509656

Cc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
BRD2 P25440 1/20 0.47
PIK3CD O00329 1/20 0.45
PIK3CG P48736 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
LOX P28300 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
PLAU P00749 1/20 0.43
NAMPT P43490 2/20 0.42
RAB9A P51151 1/20 0.42
HSD11B1 P28845 1/20 0.41
ALOX5AP P20292 3/20 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
SCHEMBL12170342 0.87 ALOX5AP (0.47) BRD4BRD2PIK3CDPIK3CGCDK5
SCHEMBL10282726 0.86 BRD4 (0.47) BRD4BRD2PIK3CDPIK3CGCDK5
Hydrochloric Acid SCHEMBL1722419 0.86 ALOX5AP (0.47) BRD4BRD2PIK3CDPIK3CGCDK5
Hydrochloric Acid SCHEMBL1722423 0.86 ALOX5AP (0.47) BRD4BRD2PIK3CDPIK3CGCDK5
SCHEMBL12189159 0.84 BRD4 (0.47) BRD4BRD2CDK5CDK5R1LOX
SCHEMBL4606376 0.80 BRD4 (0.47) BRD4BRD2PIK3CDPIK3CGCDK5
SCHEMBL5885963 0.79 BRD4 (0.57) BRD4BRD2TP53TSHRPSEN1
SCHEMBL5885959 0.79 BRD4 (0.57) BRD4BRD2TP53TSHRPSEN1
SCHEMBL6302770 0.79 BRD4 (0.57) BRD4BRD2TP53TSHRPSEN1
SCHEMBL10282718 0.79 BRD4 (0.47) BRD4BRD2NAMPTRAB9A

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-20110312958-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-22 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-20110312958-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 BRD4 1004/4885BRD2 1832/4885PIK3CD 1430/4885

“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.