SCHEMBL6580392

SCHEMBL6580392

COC(=O)c1ccc(-c2cc(NS(=O)(=O)c3ccccc3)n(-c3ccccc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
CCNA2 P20248 3/20 0.52
CDK2 P24941 3/20 0.52
NPY5R Q15761 2/20 0.52
CDK1 P06493 1/20 0.52
CDK4 P11802 1/20 0.52
CCNB1 P14635 1/20 0.52
CCND1 P24385 1/20 0.52
CDK7 P50613 1/20 0.52
CCNH P51946 1/20 0.52
GRM5 P41594 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2C9 P11712 1/20 0.48

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
SCHEMBL6585190 0.89 GRM5 (0.54) CCNA2CDK2NPY5RGRM5ALDH1A1
SCHEMBL25351301 0.85 ALDH1A1 (0.60) POLBCCNA2CDK2NPY5RGRM5
SCHEMBL6582687 0.84 GRM5 (0.61) GRM5ALDH1A1LMNASMN1; SMN2
SCHEMBL7505480 0.83 POLB (0.53) POLBNPY5RALDH1A1MAPTCYP2C9
SCHEMBL6582398 0.80 CCNA2 (0.44) POLBCCNA2CDK2NPY5RCDK1
SCHEMBL14132556 0.79 ALDH1A1 (0.75) POLBCCNA2CDK2NPY5RGRM5
SCHEMBL1819779 0.79 ALDH1A1 (0.57) POLBNPY5RGRM5ALDH1A1LMNA
SCHEMBL6582065 0.78 RAB9A (0.66) CCNA2CDK2NPY5RCDK1CDK4
SCHEMBL12670655 0.77 ALDH1A1 (0.55) POLBCCNA2CDK2CDK1CDK4
SCHEMBL1822730 0.76 MEN1 (0.42) POLBALDH1A1MAPTSMN1; SMN2

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
EP-1257539-B1 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO MCNEIL PHARM INC (US) 2004-12-29 EP disclosed
US-6531478-B2 For therapy of eating disorder, obesity, bulimia nervosa, diabetes, binge eating, anorexia nervosa, dyslipidimia, hypertension, memory loss, epileptic seizures, migraine, sleep disturbances, pain, sexual/reproductive disorders KORDIK CHERYL P (US) 2003-03-11 US disclosed
US-20020065289-A1 Amino pyrazole derivatives useful for the treatment of obesity and other disorders KORDIK CHERYL P (US) 2002-05-30 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-20020065289-A1 Amino pyrazole derivatives useful for the treatment of obesity and other disorders NPY5R, NPY1R, NPY4R POLB 4444/4885CCNA2 4761/4885CDK2 3911/4885

“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.