SCHEMBL21841338

SCHEMBL21841338

CCN1CCCN(C(=O)Nc2ccc(CNC(=O)CCCCCNC(=O)c3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)cc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 2/20 0.47
▸ ESR1 P03372 1/20 0.44
▸ ALB P02768 2/20 0.43
▸ BTK Q06187 3/20 0.43
▸ FOLH1 Q04609 1/20 0.43
▸ HTRA2 O43464 5/20 0.42
▸ HTRA1 Q92743 5/20 0.42
▸ AVPR2 P30518 2/20 0.41
▸ OXTR P30559 2/20 0.41
▸ AVPR1A P37288 1/20 0.41
▸ GBA1 P04062 1/20 0.40

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
SCHEMBL19365546 0.94 SLC5A2 (0.47) SLC5A2ESR1ALBBTKFOLH1
SCHEMBL19365750 0.88 CA1 (0.53) BTK
SCHEMBL19669062 0.87 SLC5A2 (0.50) SLC5A2ESR1ALBBTKFOLH1
SCHEMBL19365740 0.87 SLC5A2 (0.50) SLC5A2ESR1ALBBTKFOLH1
SCHEMBL16250025 0.87 SLC5A2 (0.50) SLC5A2ESR1ALBBTKFOLH1
SCHEMBL19361190 0.86 SLC5A2 (0.50) SLC5A2ESR1ALBBTKFOLH1
SCHEMBL19669980 0.74 CA1 (0.51) —
SCHEMBL19365748 0.74 CA1 (0.51) —
SCHEMBL19669056 0.74 CA1 (0.52) —
SCHEMBL19365797 0.73 TP53 (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — 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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 SLC5A2 1592/4885ESR1 3737/4885ALB 3770/4885

“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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