SCHEMBL61901

SCHEMBL61901

O=C(O)c1ccc2[nH]c3c(c2c1)CN(C(=O)OCc1ccccc1)CC3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
PABPC1 P11940 1/20 0.60
ATM Q13315 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
POLB P06746 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
AKR1B1 P15121 1/20 0.49
GABRA5 P31644 1/20 0.48
BAZ2B Q9UIF8 7/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDR P35968 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL2189766 0.88 BAZ2B (0.63) LMNAPABPC1ATMSMN1; SMN2ALDH1A1
SCHEMBL541660 0.87 LMNA (0.78) LMNAPABPC1ATMSMN1; SMN2POLB
SCHEMBL12868460 0.87 MAPT (0.62) LMNAPABPC1ATMSMN1; SMN2ALDH1A1
SCHEMBL62381 0.85 ROCK2 (0.51) LMNAPABPC1ATMSMN1; SMN2MAPK1
SCHEMBL3308539 0.84 MAPK1 (0.54) LMNAPABPC1ATMSMN1; SMN2POLB
SCHEMBL61054 0.82 L3MBTL1 (0.49) LMNAPABPC1ATMSMN1; SMN2POLB
SCHEMBL7132310 0.81 LMNA (0.68) LMNAPABPC1ATMSMN1; SMN2POLB
SCHEMBL3312381 0.80 LMNA (0.57) LMNAPABPC1ATMSMN1; SMN2POLB
SCHEMBL60976 0.80 AKR1B1 (0.74) AKR1B1HDAC1HDAC6
SCHEMBL13328959 0.80 POLB (0.76) LMNAPABPC1ATMSMN1; SMN2POLB

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 16 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-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-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-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-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-8129390-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-03-06 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
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 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
WO-2009076631-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-06-18 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 (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 LMNA 2768/4885PABPC1 3204/4885ATM 175/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 LMNA 2768/4885PABPC1 3204/4885ATM 175/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 LMNA 2768/4885PABPC1 3204/4885ATM 175/4885

“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.