SCHEMBL16775871

SCHEMBL16775871

Cc1cc(OCC(O)CO)nc(NC(=O)N2CCCNc3ccc(-c4cccc(F)c4)nc32)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.33
▸ RPS6KA3 P51812 2/20 0.32
▸ KMO O15229 1/20 0.32
▸ WNT3A P56704 2/20 0.32
▸ TRPV3 Q8NET8 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ RPS6KA2 Q15349 1/20 0.31
▸ ABCB1 P08183 1/20 0.30
▸ ABCG2 Q9UNQ0 1/20 0.30
▸ MLNR O43193 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ NPR1 P16066 1/20 0.30
▸ RAF1 P04049 2/20 0.30
▸ CYP3A4 P08684 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
SCHEMBL16785536 0.91 RAF1 (0.36) KMOTRPV3HSD17B10RAF1
SCHEMBL16775880 0.86 RPS6KA3 (0.35) EGFRRPS6KA3KMOWNT3ATRPV3
SCHEMBL16775872 0.83 PIK3CA (0.33) EGFRRPS6KA3KMOTRPV3
SCHEMBL16775873 0.81 CA9 (0.39) RPS6KA3KMOALDH1A1RPS6KA2KDR
SCHEMBL16775861 0.80 VCP (0.36) EGFRKMORPS6KA2RAF1
SCHEMBL16775870 0.80 GRM5 (0.39) RPS6KA3KMORPS6KA2
SCHEMBL17655329 0.79 FGFR4 (0.39) TRPV3RAF1
SCHEMBL17618395 0.78 TSHR (0.36) EGFRWNT3AALDH1A1HPGDTSHR
SCHEMBL12653807 0.78 RAF1 (0.36) ALDH1A1TSHRNPSR1RAF1
SCHEMBL16785561 0.77 FGFR4 (0.36) KMOTRPV3RAF1

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 EGFR 3224/4885RPS6KA3 2368/4885KMO 768/4885

“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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