SCHEMBL19714348

SCHEMBL19714348

O=C(NCC(F)(F)F)c1ccc2c(n1)N(C(=O)Nc1ccc(F)cn1)[C@H]1CCN2C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.37
▸ LPL P06858 1/20 0.35
▸ LIPC P11150 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ DEGS1 O15121 2/20 0.35
▸ FGFR4 P22455 1/20 0.34
▸ GRM5 P41594 5/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ JAK3 P52333 3/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ ULK1 O75385 2/20 0.33

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
SCHEMBL17770191 1.00 CTSS (0.37) CTSSLPLLIPCLIPGDEGS1
SCHEMBL17769867 0.93 GRM5 (0.35) LPLLIPCLIPGDEGS1FGFR4
SCHEMBL19714185 0.92 JAK3 (0.35) LPLLIPCLIPGDEGS1FGFR4
SCHEMBL22239551 0.91 NPC1 (0.36) CTSSJAK3JAK2JAK1TYK2
SCHEMBL17769963 0.91 NPC1 (0.36) CTSSJAK3JAK2JAK1TYK2
SCHEMBL19736482 0.90 GCK (0.36) CTSSJAK3JAK2JAK1TYK2
SCHEMBL19714345 0.90 GCK (0.36) CTSSJAK3JAK2JAK1TYK2
SCHEMBL19714307 0.90 SRPK1 (0.33) CTSSJAK3JAK2JAK1TYK2
SCHEMBL17770549 0.90 JAK3 (0.36) CTSSJAK3TYK2
SCHEMBL19713997 0.89 RPS6KB1 (0.38) DEGS1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP claimed
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
US-10072011-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2018-09-11 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — 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 (2 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-10072011-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CTSS 1674/4885LPL 3228/4885LIPC 1388/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CTSS 1674/4885LPL 3228/4885LIPC 1388/4885

“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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