SCHEMBL1908591

SCHEMBL1908591

O=C(N1CCOc2ccc(S(=O)(=O)Cl)cc21)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
PAX8 Q06710 1/20 0.46
POLB P06746 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
CASP6 P55212 1/20 0.46
PTPN11 Q06124 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
EGFR P00533 1/20 0.40
ITK Q08881 1/20 0.40

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
SCHEMBL15882783 0.83 KMT2A (0.60) KMT2APAX8POLBTDP1DUSP3
SCHEMBL15805654 0.81 CA12 (0.54) PTPN11CA12CA1CA2CA7
SCHEMBL25290609 0.80 KMT2A (0.44) KMT2APAX8POLBTDP1DUSP3
SCHEMBL13606320 0.79 MAPT (0.55) KMT2APOLBTP53MAPTMEN1
SCHEMBL9467972 0.79 MAPT (0.43) KMT2APAX8POLBTDP1DUSP3
SCHEMBL13185172 0.77 POLB (0.45) KMT2APOLBTDP1DUSP3PTPN5
SCHEMBL13165272 0.77 ALDH1A1 (0.45) KMT2APAX8POLBTDP1TP53
SCHEMBL20927033 0.76 MAPT (0.42) KMT2APAX8POLBTDP1DUSP3
SCHEMBL15805636 0.76 CA1 (0.52) KMT2ATDP1CA12CA1CA2
SCHEMBL1908670 0.76 CA12 (0.49) KMT2APOLBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY KMT2A 2537/4885PAX8 4781/4885POLB 1792/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY KMT2A 2537/4885PAX8 4781/4885POLB 1792/4885

“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.