SCHEMBL3000425

SCHEMBL3000425

CCOC(=O)Cc1cc(OS(=O)(=O)C(F)(F)F)cc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.43
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
DRD2 P14416 1/20 0.34
HTR1D P28221 1/20 0.34
DRD3 P35462 1/20 0.34
TRPM2 O94759 1/20 0.34
AVPR2 P30518 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CNR2 P34972 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2998422 0.83 NLRP3 (0.46) NLRP3ALDH1A1MEN1KMT2AMAPT
SCHEMBL2998076 0.77 NLRP3 (0.48) NLRP3ALDH1A1LMNANPC1MAPT
SCHEMBL2905044 0.76 SMN1; SMN2 (0.38) ALDH1A1LMNAKMT2ANPC1MAPT
SCHEMBL149845 0.75 ALDH1A1 (0.38) ALDH1A1LMNAHTR1DMEN1KMT2A
SCHEMBL150626 0.75 HSD11B1 (0.38) HTR1DKMT2ANPC1MAPTRAB9A
SCHEMBL4078469 0.74 GAA (0.45) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL3552508 0.74 NPC1 (0.39) NLRP3ALDH1A1LMNAMEN1KMT2A
SCHEMBL7676369 0.72 CXCR5 (0.37) NLRP3ALDH1A1DRD2HTR1DDRD3
SCHEMBL152873 0.72 MAOB (0.38) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL2128158 0.71 L3MBTL1 (0.35) MEN1KMT2AMAPTRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825124-B2 Indolylmaleimide derivatives ALBERT RAINER 2010-11-02 US disclosed
US-7786123-B2 Indolylmaleimide derivatives ALBERT RAINER 2010-08-31 US disclosed
US-20090318463-A1 Indolylmaleimide Derivatives ALBERT RAINER 2009-12-24 US disclosed
EP-1337527-B1 INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE C INHIBITORS NOVARTIS AG (CH) 2009-10-14 EP disclosed
EP-2070921-A1 Indolylmaleimide derivatives as protein kinase c inhibitors Novartis Ag (CH) 2009-06-17 EP disclosed
US-20070191401-A1 Transplant rejection, autoimmune disease, autoimmune disease ALBERT RAINER 2007-08-16 US disclosed
US-20070184061-A1 Indolylmaleimide derivatives ALBERT RAINER 2007-08-09 US disclosed
US-20070155817-A1 Indolylmaleimide derivatives ALBERT RAINER 2007-07-05 US disclosed
US-7220774-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2007-05-22 US disclosed
US-20040053949-A1 Indolylmaleimide derivatives ALBERT RAINER (CH) 2004-03-18 US disclosed
US-6645970-B2 Preventing T-cell mediated acute or chronic inflammatory diseases or disorders, autoimmune diseases, graft rejection or cancer NOVARTIS AG (CH) 2003-11-11 US disclosed
US-20030069424-A1 Indolylmaleimide derivatives NOVARTIS AG (CH) 2003-04-10 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 (6 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-20090318463-A1 Indolylmaleimide Derivatives NFATC1, INMT, IDO1 NLRP3 592/4885ALDH1A1 1752/4885LMNA 3949/4885
US-20070191401-A1 Transplant rejection, autoimmune disease, autoimmune disease NFATC1, HLA-DRB1, INMT NLRP3 210/4885ALDH1A1 1866/4885LMNA 4828/4885
US-20030069424-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 NLRP3 592/4885ALDH1A1 1752/4885LMNA 3949/4885
US-20040053949-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 NLRP3 592/4885ALDH1A1 1752/4885LMNA 3949/4885
US-20070155817-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 NLRP3 592/4885ALDH1A1 1752/4885LMNA 3949/4885
US-20070184061-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 NLRP3 592/4885ALDH1A1 1752/4885LMNA 3949/4885

“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.