SCHEMBL17618804

SCHEMBL17618804

NS(=O)(=O)c1ccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 16/20 0.50
▸ CA9 Q16790 16/20 0.50
▸ CA12 O43570 15/20 0.50
▸ CA1 P00915 15/20 0.50
▸ CA4 P22748 7/20 0.42
▸ CA7 P43166 7/20 0.42
▸ TRPV1 Q8NER1 4/20 0.42
▸ EPHX2 P34913 3/20 0.41
▸ PTGS2 P35354 3/20 0.41
▸ PTGS1 P23219 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL17618348 0.89 IDH2 (0.45) CA2CA9TRPV1LMNAMAPT
SCHEMBL17618807 0.89 PLG (0.44) CA2CA9CA12CA1LMNA
SCHEMBL16250003 0.89 CA2 (0.42) CA2CA9CA12CA1MAPT
SCHEMBL17618783 0.89 MEN1 (0.47) TRPV1LMNAMAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL16238420 0.88 CA2 (0.42) CA2CA9CA12CA1MAPT
SCHEMBL17618902 0.88 CA2 (0.42) CA2CA9TRPV1LMNAMAPT
SCHEMBL17618906 0.88 CA2 (0.42) CA2CA9TRPV1LMNAMAPT
SCHEMBL17618817 0.87 CA2 (0.41) CA2CA9TRPV1LMNAGAA
SCHEMBL17618793 0.87 NPY2R (0.43) CA2CA9TRPV1LMNAGAA
SCHEMBL17618792 0.86 CA2 (0.45) CA2CA9TRPV1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (1 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4636/4885CA9 4430/4885CA12 4857/4885

“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.

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