SCHEMBL12457977

SCHEMBL12457977

CC(C)(C)C(=O)OCc1ncc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.49
▸ FFAR1 O14842 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.37
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ AAK1 Q2M2I8 3/20 0.35
▸ HIF1A Q16665 2/20 0.34
▸ PDGFRB P09619 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ F2 P00734 2/20 0.32
▸ F11 P03951 2/20 0.32
▸ PRSS1 P07477 2/20 0.32
▸ PRSS2 P07478 2/20 0.32
▸ PRSS3 P35030 2/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL28697197 0.85 DGAT1 (0.43) DGAT1FFAR1USP30GSK3AGSK3B
SCHEMBL12457974 0.79 MAPT (0.40) ELANENPC1
SCHEMBL17734224 0.78 LIPG (0.49) DGAT1AAK1F2F11PRSS1
SCHEMBL27088182 0.76 DGAT1 (0.41) DGAT1FFAR1USP30GSK3AGSK3B
SCHEMBL31292653 0.75 DGAT1 (0.48) DGAT1FFAR1USP30GSK3AGSK3B
SCHEMBL23287138 0.74 SMN1; SMN2 (0.43) DGAT1FFAR1GSK3AGSK3BHIF1A
SCHEMBL4206551 0.73 DGAT1 (0.49) DGAT1FFAR1USP30GSK3AGSK3B
SCHEMBL12457978 0.73 NPC1 (0.38) ELANENPC1
SCHEMBL1283942 0.73 DGAT1 (0.44) DGAT1FFAR1USP30GSK3AGSK3B
SCHEMBL21713682 0.73 DGAT1 (0.41) DGAT1AAK1HIF1APRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 — — US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 — — US disclosed
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 — — US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — US disclosed
EP-2686320-B1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME (US) 2016-05-18 — — EP disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 — — US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 — — US disclosed
WO-2014043272-A1 TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS TRIUS THERAPEUTICS INC. (US) 2014-03-20 — — WO disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 — — US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 — — US disclosed
WO-2012125746-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS INC. (US) 2012-09-20 — — WO 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 (5 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-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B DGAT1 2295/4885FFAR1 4425/4885USP30 2708/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B DGAT1 2330/4885FFAR1 4363/4885USP30 2825/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B DGAT1 2295/4885FFAR1 4425/4885USP30 2708/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B DGAT1 2295/4885FFAR1 4425/4885USP30 2708/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B DGAT1 2330/4885FFAR1 4363/4885USP30 2825/4885

“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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