SCHEMBL16776355

SCHEMBL16776355

CC(=O)c1ccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3NCC[C@H]2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ FYN P06241 1/20 0.38
▸ CFTR P13569 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ PLG P00747 2/20 0.37
▸ PLAU P00749 2/20 0.37
▸ PLAT P00750 2/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ SLC5A1 P13866 3/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ KMO O15229 1/20 0.36
▸ CTPS1 P17812 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ RET P07949 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ CDK8 P49336 1/20 0.36

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
SCHEMBL16776479 0.92 SLC5A1 (0.41) CA2CA9FYNSLC5A1JAK2
SCHEMBL16776472 0.91 CA2 (0.41) CA2CA9FYNADORA2AKDM1A
SCHEMBL16775885 0.89 ADORA2A (0.36) CA2CA9FYNADORA2AKDM1A
SCHEMBL16776293 0.86 CA2 (0.38) CA2CA9ADORA2ASLC5A1JAK2
SCHEMBL16776419 0.86 BRAF (0.40) CA2CA9FYNTRPV1
SCHEMBL16776434 0.86 PTGER3 (0.39) CA2CA9FYNSLC5A1
SCHEMBL16785534 0.85 SLC5A1 (0.43) CA2CA9FYNSLC5A1
SCHEMBL16775900 0.85 LMNA (0.40) CA2CA9FYNSLC5A1
SCHEMBL16775894 0.85 FYN (0.37) CA2CA9FYNMAOAMAOB
SCHEMBL16776417 0.85 SMN1; SMN2 (0.38) CA2CA9FYNTRPV1

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885FYN 2694/4885

“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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