SCHEMBL17618652

SCHEMBL17618652

O=C(CCCCC1=c2[nH]c(=O)[nH]c2=CC1)NCCCCCC(=O)NCc1ccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)cc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ JAK2 O60674 1/20 0.30

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
SCHEMBL19365598 0.86 TSHR (0.36) CA2CA9JAK2
SCHEMBL19670419 0.83 KMT2A (0.38) CA2CA9
SCHEMBL19361184 0.81 ITGB1 (0.46) CA2CA9
SCHEMBL20632966 0.80 CA2 (0.39) CA2CA9JAK2
SCHEMBL16785514 0.79 KMT2A (0.37) CA2CA9JAK2
SCHEMBL19365793 0.78 ITGB1 (0.46) CA2CA9
SCHEMBL19361185 0.78 ITGB1 (0.46) CA2CA9
SCHEMBL19862439 0.78 KMT2A (0.41) CA2CA9
SCHEMBL19365864 0.78 KMT2A (0.39) CA2CA9
SCHEMBL16250002 0.78 KMT2A (0.37) CA2CA9JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4430/4885JAK2 2409/4885

“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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