SCHEMBL1908670

SCHEMBL1908670

CC(=O)N1CCN(C(=O)C(F)(F)F)c2ccc(S(=O)(=O)Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
NOTUM Q6P988 4/20 0.41
SCN9A Q15858 1/20 0.41
LMNA P02545 7/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.37
POLB P06746 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
SCHEMBL15805654 0.93 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL1817195 0.79 CA12 (0.76) CA12CA1CA2CA7CA9
SCHEMBL1908589 0.77 NOTUM (0.53) NOTUMPOLB
SCHEMBL15805636 0.77 CA1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL2227782 0.77 CA1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL1908591 0.76 KMT2A (0.46) CA12CA1CA2CA7CA9
SCHEMBL1021359 0.74 NOTUM (0.64) NOTUMLMNASMN1; SMN2PKMTP53
SCHEMBL29737158 0.74 NOTUM (0.64) NOTUMLMNASMN1; SMN2PKMTP53
SCHEMBL1807646 0.74 ALDH1A1 (0.64) NOTUMLMNASMN1; SMN2PKMALDH1A1
SCHEMBL16086962 0.73 NOTUM (0.41) CA12CA1CA2CA7CA9

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 3 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-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 CA12 1015/4885CA1 1110/4885CA2 709/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY CA12 1015/4885CA1 1110/4885CA2 709/4885

“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.