SCHEMBL1908587

SCHEMBL1908587

CC(=O)N1CCCc2ccc(S(=O)(=O)Cl)cc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
TP53 P04637 2/20 0.56
NOTUM Q6P988 2/20 0.56
ALDH1A1 P00352 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
OGG1 O15527 1/20 0.54
LMNA P02545 8/20 0.53
PKM P14618 2/20 0.53
KMT2A Q03164 1/20 0.53
TSHR P16473 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL1807646 0.92 ALDH1A1 (0.64) TDP1NOTUMALDH1A1SMN1; SMN2LMNA
SCHEMBL1908607 0.89 TP53 (0.70) TP53ALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL15805636 0.83 CA1 (0.52) TDP1TP53ALDH1A1SMN1; SMN2OGG1
SCHEMBL9333835 0.82 TDP1 (0.52) TDP1TP53NOTUMALDH1A1SMN1; SMN2
SCHEMBL1021359 0.80 NOTUM (0.64) TP53NOTUMALDH1A1SMN1; SMN2LMNA
SCHEMBL29737158 0.80 NOTUM (0.64) TP53NOTUMALDH1A1SMN1; SMN2LMNA
SCHEMBL3183440 0.80 KMT2A (0.44) ALDH1A1KMT2ATSHR
SCHEMBL1803594 0.80 ALDH1A1 (0.67) TP53NOTUMALDH1A1SMN1; SMN2LMNA
SCHEMBL12559522 0.78 NOTUM (0.64) TDP1TP53NOTUMALDH1A1LMNA
SCHEMBL21678176 0.78 NOTUM (0.64) TDP1TP53NOTUMSMN1; SMN2OGG1

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 TDP1 4350/4885TP53 3890/4885NOTUM 76/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY TDP1 4350/4885TP53 3890/4885NOTUM 76/4885

“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.