SCHEMBL4136834

SCHEMBL4136834

COC(=O)c1ccc2c(c1)N(C)S(=O)(=O)CC2N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 4/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
ALOX15 P16050 2/20 0.43
POLB P06746 1/20 0.42
CASP3 P42574 1/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL21032890 0.85 ALDH1A1 (0.44) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL8057225 0.75 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL31571141 0.73 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL30864276 0.73 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL4149010 0.70 CASP3 (0.48) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL18670723 0.68 CA1 (0.55) ALDH1A1KDM4ERAB9AMAPTHPGD
SCHEMBL18682115 0.68 CA1 (0.55) ALDH1A1KDM4ERAB9AMAPTHPGD
SCHEMBL803471 0.68 CHRNB2 (0.47) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL4047281 0.68 CHRNB2 (0.47) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL1271484 0.68 CHRNB2 (0.47) ALDH1A1KDM4ENPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
EP-1656355-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-03-12 EP disclosed
EP-1656355-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-03-12 EP disclosed
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP disclosed
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP disclosed
US-7199244-B2 Cyclic amine derivatives and methods of use AMGEN (US) 2007-04-03 US disclosed
US-7199244-B2 Cyclic amine derivatives and methods of use AMGEN (US) 2007-04-03 US disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 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 (3 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 ALDH1A1 353/4885KDM4E 2759/4885NPC1 465/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 ALDH1A1 353/4885KDM4E 2759/4885NPC1 465/4885
US-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS ALDH1A1 184/4885KDM4E 2594/4885NPC1 854/4885

“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.