SCHEMBL16775756

SCHEMBL16775756

CCCNS(=O)(=O)c1cccc(C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
F10 P00742 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
ALDH1A1 P00352 3/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
PGR P06401 1/20 0.44
MEN1 O00255 1/20 0.44
KAT6A Q92794 1/20 0.44
EGFR P00533 1/20 0.43
TNNI3K Q59H18 1/20 0.43
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.42
FBP1 P09467 1/20 0.42

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
SCHEMBL10080948 0.91 ALDH1A1 (0.56) KMT2ACA12CA1CA2CA9
SCHEMBL15614426 0.87 KMT2A (0.47) KMT2ACA1CA2CA9F10
SCHEMBL15119351 0.86 CYP2C19 (0.58) KMT2AF10PRSS1PRSS2PRSS3
SCHEMBL17049845 0.85 KMT2A (0.65) KMT2ACA12CA1CA2CA9
SCHEMBL14349167 0.84 TSHR (0.52) KMT2ACA12CA2CA9F10
SCHEMBL16775760 0.83 ALDH1A1 (0.51) KMT2ACA2F10PRSS1PRSS2
SCHEMBL20647114 0.82 KMT2A (0.48) KMT2AF10PRSS1PRSS2PRSS3
SCHEMBL18085906 0.82 ALDH1A1 (0.68) F10PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL9229020 0.80 CA1 (0.69) KMT2ACA12CA1CA2CA9
SCHEMBL17618326 0.80 GBA1 (0.56) KMT2ACA2F10PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 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 (3 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1438/4885CA12 4836/4885CA1 4553/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1287/4885CA12 4857/4885CA1 4724/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1438/4885CA12 4836/4885CA1 4553/4885

“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.