SCHEMBL4004067

SCHEMBL4004067

CS(=O)(=O)OC(c1ccccc1)c1nc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
HRH3 Q9Y5N1 1/20 0.46
TSHR P16473 3/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX5 P09917 1/20 0.42
PSMB8 P28062 1/20 0.42
PSMB5 P28074 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
RAB9A P51151 3/20 0.41
ACP1 P24666 1/20 0.41
PTPN7 P35236 1/20 0.41
PTPN12 Q05209 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
SCHEMBL7542527 0.81 RAB9A (0.53) HPGDTSHRGAAMAPK1LOXL2
SCHEMBL11038028 0.78 HPGD (0.59) HPGDHRH3TSHRGAAMAPK1
SCHEMBL6670749 0.75 LMNA (0.41) TSHRMAPK1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL22997080 0.72 HPGD (0.65) HPGDTSHRGAAMAPK1LOXL2
SCHEMBL21473594 0.72 HPGD (0.65) HPGDTSHRGAAMAPK1LOXL2
SCHEMBL5851278 0.72 HPGD (0.69) HPGDHRH3TSHRGAAMAPK1
SCHEMBL10857871 0.71 HPGD (0.67) HPGDTSHRGAAMAPK1LOXL2
SCHEMBL28275001 0.70 HPGD (0.61) HPGDHRH3TSHRGAAMAPK1
SCHEMBL4003055 0.69 LMNA (0.42) HPGDGAACYP2C9CYP2C19HSD17B10
SCHEMBL900092 0.69 CHRM2 (0.63) HPGDHRH3TSHRGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 US disclosed
US-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 US disclosed
WO-2009079597-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 WO 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-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R HPGD 768/4885HRH3 285/4885TSHR 67/4885

“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.