SCHEMBL1028488

SCHEMBL1028488

CCOC(=O)c1cc2c(OS(=O)(=O)C(F)(F)F)cccc2cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
CDC25B P30305 3/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CCR6 P51684 1/20 0.38
CDC25A P30304 1/20 0.37
CDC25C P30307 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37

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
SCHEMBL1029036 0.81 KDM4E (0.51) CDC25BCYP4F2CYP4A11KDM4EMAOA
SCHEMBL4793220 0.80 PDK2 (0.39) MRGPRX4CDC25BKDM4EMAOAMAOB
SCHEMBL4472069 0.80 TSHR (0.46) CA1CA2CA12CA9CDC25B
SCHEMBL1028143 0.79 MAOA (0.53) CA1CA2CA12CA9CDC25B
SCHEMBL11955735 0.78 KDM4E (0.47) CDC25BKDM4ENPSR1MAOAMAOB
SCHEMBL2115262 0.77 CDC25B (0.48) CDC25BKDM4ENPSR1MAOAMAOB
SCHEMBL8189712 0.77 TSHR (0.56) CDC25BKDM4EALDH1A1TSHRKMT2A
SCHEMBL9080409 0.76 TSHR (0.43) CA1CA2CA12CA9KDM4E
SCHEMBL3305731 0.76 MAPK1 (0.42) CA1CA2CA12CA9MRGPRX4
SCHEMBL14994700 0.75 RAB9A (0.46) CA1CA2CA12CA9CDC25B

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
US-8426440-B2 Indolymaleimide derivatives NOVARTIS AG (CH) 2013-04-23 US disclosed
EP-2246346-B1 Indolylmaleimide derivatives as protein kinase inhibitors NOVARTIS AG (CH) 2012-10-24 EP disclosed
EP-1904482-B1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2011-01-19 EP disclosed
EP-2246346-A1 Indolylmaleimide derivatives as protein kinase inhibitors Novartis AG (CH) 2010-11-03 EP disclosed
US-20100273774-A1 INDOLYMALEIMIDE DERIVATIVES WAGNER JUERGEN 2010-10-28 US disclosed
US-7781438-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2010-08-24 US disclosed
US-20080318975-A1 Indolylmaleimide Derivatives NOVARTIS AG (CH) 2008-12-25 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 (2 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-20100273774-A1 INDOLYMALEIMIDE DERIVATIVES IDO1, INMT, IDO2 CA1 2727/4885CA2 3811/4885CA12 3819/4885
US-20080318975-A1 Indolylmaleimide Derivatives IDH3A, INMT, IDH3B CA1 3172/4885CA2 2670/4885CA12 3281/4885

“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.