SCHEMBL3072002

SCHEMBL3072002

COC(=O)C1CC(=O)CC(C(=O)OC)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
BRD4 O60885 1/20 0.40
MMP2 P08253 1/20 0.40
ANPEP P15144 1/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CCKBR P32239 1/20 0.37
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE5A O76074 2/20 0.36

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
SCHEMBL3072000 1.00 KMT2A (0.43) KMT2AKDM4EHSD17B10TSHRHTT
SCHEMBL3072005 0.92 KMT2A (0.41) KMT2AKDM4EHSD17B10TSHRHTT
SCHEMBL24346570 0.88 KDM4E (0.40) KMT2AKDM4EHSD17B10TSHRHTT
SCHEMBL24346569 0.88 KDM4E (0.40) KMT2AKDM4EHSD17B10TSHRHTT
SCHEMBL26041506 0.88 KDM4E (0.40) KMT2AKDM4EHSD17B10TSHRHTT
SCHEMBL26041476 0.88 KDM4E (0.40) KMT2AKDM4EHSD17B10TSHRHTT
SCHEMBL202781 0.79 ALDH1A1 (0.48) KMT2AKDM4EHSD17B10TSHRHTT
SCHEMBL202780 0.79 ALDH1A1 (0.48) KMT2AKDM4EHSD17B10TSHRHTT
SCHEMBL7245061 0.79 CHRNB2 (0.46) KMT2ATSHRMEN1CYP1A2CYP2D6
SCHEMBL7245063 0.79 CHRNB2 (0.46) KMT2ATSHRMEN1CYP1A2CYP2D6

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
US-20100267747-A1 5-(Arylsulfonyl)-Pyrazolopiperidines ELAN PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-7732609-B2 5-(arylsulfonyl)-pyrazolopiperidines ELAN PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
EP-1957458-A2 5-(ARYLSULFONYL)-PYRAZOLOPIPERIDINES Elan Pharmaceuticals Inc. (US) 2008-08-20 EP disclosed
US-20070155753-A1 5-(Arylsulfonyl)-Pyrazolopiperidines ELAN PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2007064914-A2 5-(ARYLSULFONYL)-PYRAZOLOPIPERIDINES ELAN PHARMACEUTICALS, INC. (US) 2007-06-07 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 (2 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-20070155753-A1 5-(Arylsulfonyl)-Pyrazolopiperidines PSEN1, PSEN2, C1S KMT2A 582/4885KDM4E 1878/4885HSD17B10 3130/4885
US-20100267747-A1 5-(Arylsulfonyl)-Pyrazolopiperidines PSEN1, PSEN2, C1S KMT2A 582/4885KDM4E 1878/4885HSD17B10 3130/4885

“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.