SCHEMBL62774

SCHEMBL62774

O=C(NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc2[nH]c3c(c2c1)C(OC(=O)C(F)(F)F)N(Cc1ccc(C(F)(F)F)cc1)CC3

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.44
DRD4 P21917 1/20 0.42
GAA P10253 1/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
POLB P06746 1/20 0.39
CCR2 P41597 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL61960 0.84 DRD4 (0.43) DRD4SLC6A5KMT2A
SCHEMBL69228 0.83 HDAC1 (0.51) TGM2DRD4GAALMNAMAPT
SCHEMBL62293 0.83 DRD4 (0.49) DRD4LMNAALDH1A1SMN1; SMN2SLC6A5
Trifluoroacetic Acid SCHEMBL62773 0.82 HDAC1 (0.49) TGM2DRD4GAALMNAMAPT
SCHEMBL61434 0.80 HDAC1 (0.54) TGM2DRD4GAALMNAMAPT
SCHEMBL61033 0.78 HDAC1 (0.57) TGM2DRD4GAALMNAMAPT
SCHEMBL63391 0.77 PRKAA2 (0.44) DRD4CCR2
SCHEMBL61149 0.76 HDAC1 (0.51) TGM2DRD4LMNAMAPTCCR2
SCHEMBL61592 0.76 HDAC1 (0.49) TGM2DRD4GAALMNAMAPT
SCHEMBL61682 0.76 DRD4 (0.53) DRD4LMNASMN1; SMN2SLC6A5MEN1

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 TGM2 1622/4885DRD4 2946/4885GAA 1176/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 TGM2 1622/4885DRD4 2946/4885GAA 1176/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 TGM2 1622/4885DRD4 2946/4885GAA 1176/4885

“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.