SCHEMBL19699106

SCHEMBL19699106

O=C(NCc1ncc(-c2cccc(NC(=O)N3c4cc(-c5cccc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)c2)o1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.43
▸ TRPV1 Q8NER1 1/20 0.36
▸ RORC P51449 2/20 0.36
▸ F2R P25116 1/20 0.36
▸ RAF1 P04049 2/20 0.35
▸ BRAF P15056 2/20 0.35
▸ PTGES O14684 2/20 0.35
▸ ENPP2 Q13822 2/20 0.35
▸ F10 P00742 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34

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
SCHEMBL16249968 0.90 MGLL (0.39) MGLLTRPV1RORCRAF1BRAF
SCHEMBL19670547 0.86 MGLL (0.39) MGLLTRPV1RORCRAF1BRAF
SCHEMBL16237965 0.81 KMT2A (0.37) TRPV1RAF1BRAF
SCHEMBL16238598 0.78 RHOA (0.52) TRPV1
SCHEMBL16249949 0.78 FYN (0.34) TRPV1RAF1BRAF
SCHEMBL16775772 0.78 FYN (0.37) TRPV1RAF1BRAFPTGES
SCHEMBL19365249 0.78 TRPV1 (0.37) TRPV1RAF1BRAF
Trifluoroacetic Acid SCHEMBL16238443 0.77 TRPV1 (0.34) TRPV1RAF1BRAFF10
SCHEMBL19706124 0.77 MGLL (0.45) MGLLPTGESENPP2
SCHEMBL16754701 0.77 DCUN1D1 (0.37) TRPV1

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 3 patents. 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
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MGLL 2998/4885TRPV1 3670/4885RORC 2889/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MGLL 2998/4885TRPV1 3670/4885RORC 2889/4885

“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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