SCHEMBL6582398

SCHEMBL6582398

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CDK7 P50613 1/20 0.44
CCNH P51946 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
GRM5 P41594 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
RARG P13631 1/20 0.42
RXRA P19793 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL6580392 0.80 POLB (0.53) CCNA2CDK2CDK1CDK4CCNB1
SCHEMBL6582065 0.77 RAB9A (0.66) CCNA2CDK2CDK1CDK4CCNB1
SCHEMBL14918559 0.73 KDM4E (0.53) CCNA2CDK2CDK1CDK4CCNB1
SCHEMBL12670655 0.73 ALDH1A1 (0.55) CCNA2CDK2CDK1CDK4CCNB1
SCHEMBL16033241 0.70 KDM4E (0.52) ALDH1A1RAB9AKDM4ERARGRXRA
SCHEMBL16034528 0.69 RARG (0.81) LMNARARGRXRA
SCHEMBL14918967 0.69 RARG (0.47) CCNA2CDK2CDK1CDK4CCNB1
SCHEMBL14918268 0.69 PTGS1 (0.63) ALDH1A1LMNAL3MBTL1RAB9AKDM4E
SCHEMBL1819961 0.69 PTGS2 (0.59) LMNARAB9AMEN1KMT2ANPY5R
SCHEMBL26342419 0.68 SMN1; SMN2 (0.62) CCNA2CDK2ALDH1A1LMNAHTT

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 5 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
EP-1257539-A2 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS Ortho-Mcneil Pharmaceutical, Inc. (US) 2002-11-20 EP 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
WO-2001062737-A2 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-08-30 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-20020065289-A1 Amino pyrazole derivatives useful for the treatment of obesity and other disorders NPY5R, NPY1R, NPY4R CCNA2 4761/4885CDK2 3911/4885CDK1 3791/4885

“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.