SCHEMBL62772

SCHEMBL62772

CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)CNCC4)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.45
USP30 Q70CQ3 3/20 0.44
PARP1 P09874 2/20 0.44
RAB9A P51151 1/20 0.44
BRD3 Q15059 1/20 0.43
EPHX1 P07099 1/20 0.43
RET P07949 1/20 0.42
KDR P35968 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
BRD4 O60885 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RIPK2 O43353 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CRHBP P24387 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
SCHEMBL62007 0.81 BRD3 (0.46) HDAC4USP30PARP1BRD3KMT2A
SCHEMBL16939031 0.81 POLB (0.43) HDAC4USP30PARP1RAB9ABRD3
SCHEMBL13809575 0.80 HDAC1 (0.59) KMT2AMEN1POLBGAAALDH1A1
SCHEMBL61054 0.79 L3MBTL1 (0.49) USP30RAB9AKMT2AMEN1POLB
SCHEMBL61542 0.79 HDAC1 (0.52) HDAC4PARP1RETKDRPOLB
SCHEMBL13809376 0.79 TRPV1 (0.45) USP30PARP1KMT2AMEN1POLB
SCHEMBL61089 0.78 HDAC1 (0.53) HDAC4KMT2AMEN1POLBGAA
SCHEMBL22160845 0.77 SMYD3 (0.58) HDAC4USP30PARP1EPHX1RET
SCHEMBL22753251 0.76 CNR1 (0.52) HDAC4USP30PARP1RETKDR
SCHEMBL3308238 0.74 CNR1 (0.66) PARP1RAB9AKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231666-B1 Carboxamide, sulfonamide and amine compounds for metabolic disorders RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP disclosed
US-8895578-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2014-02-13 US disclosed
US-8557822-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8129390-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-03-06 US disclosed
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 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-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HDAC4 697/4885USP30 2819/4885PARP1 443/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HDAC4 697/4885USP30 2819/4885PARP1 443/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HDAC4 697/4885USP30 2819/4885PARP1 443/4885

“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.