SCHEMBL17618395

SCHEMBL17618395

Cc1cc(OCC(O)CO)nc(NC(=O)N2c3nc(-c4cccc(F)c4)ccc3N3CC[C@H]2C3)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ NPR1 P16066 1/20 0.32
▸ MAP4K4 O95819 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ADRB2 P07550 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ WNT3A P56704 2/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ PDE4A P27815 1/20 0.31

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
SCHEMBL17618387 0.92 RAF1 (0.36) TSHRALDH1A1LMNAPDE4APDE4B
SCHEMBL17624556 0.91 RAF1 (0.37) TSHRALDH1A1HSD17B10FFAR4LMNA
SCHEMBL17618402 0.86 WNT3A (0.35) HPGDSADRB2ADRB1ADRB3WNT3A
SCHEMBL19670137 0.85 ALDH1A1 (0.34) TSHRALDH1A1HPGDNPSR1HSD17B10
SCHEMBL17618397 0.83 HPGDS (0.34) TSHRALDH1A1HPGDNPSR1HSD17B10
SCHEMBL19689755 0.81 KIF18A (0.34) WNT3A
SCHEMBL19699040 0.81 CA9 (0.31) EGFR
SCHEMBL19689757 0.81 KIF18A (0.34) WNT3A
SCHEMBL17618452 0.79 MAPK14 (0.35) HPGDSADRB2ADRB1ADRB3
SCHEMBL19689728 0.79 RAF1 (0.37) WNT3A

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 9 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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TSHR 2703/4885ALDH1A1 1910/4885HPGD 412/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TSHR 3064/4885ALDH1A1 1726/4885HPGD 302/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 TSHR 3064/4885ALDH1A1 1726/4885HPGD 302/4885

“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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