SCHEMBL17442556

SCHEMBL17442556

CC(C)(C)NC(=O)O.CC(C)(C)NC(=O)O.Nc1noc2ccc(CBr)cc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ F10 P00742 8/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ F2 P00734 3/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ MET P08581 1/20 0.34
▸ AKT1 P31749 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAPK14 Q16539 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
SCHEMBL17442612 0.89 AURKB (0.40) MAPTF10NTRK1SCN9AF2
SCHEMBL17442796 0.84 MAPT (0.50) MAPTNPC1RAB9A
SCHEMBL28372349 0.82 AKT1 (0.36) MAPTF10NTRK1SCN9AF2
SCHEMBL17442555 0.81 F10 (0.35) MAPTF10NTRK1SCN9AF2
SCHEMBL17442702 0.80 HDAC7 (0.43) MAPTF10
SCHEMBL3547238 0.74 MAPT (0.49) MAPTF10NTRK1SCN9ACA2
SCHEMBL12984211 0.70 F2 (0.42) MAPTNTRK1F2NPC1RAB9A
SCHEMBL12044601 0.70 RAB9A (0.41) MAPTSCN9AAKT1NPC1RAB9A
SCHEMBL17442611 0.70 AURKB (0.42) MAPTF10NTRK1SCN9AF2
SCHEMBL17442864 0.68 ROCK1 (0.42) F10NTRK1SCN9ACA1CA2

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-11021463-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-06-01 — — US disclosed
EP-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 — — EP disclosed
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 — — US disclosed
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 — — US disclosed
US-10266515-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-23 — — US disclosed
US-10259803-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-16 — — US disclosed
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2018-06-21 — — US disclosed
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-09-14 — — US disclosed
EP-3169325-A1 THERAPEUTIC INHIBITORY COMPOUNDS Lifesci Pharmaceuticals, Inc. (BB) 2017-05-24 — — EP disclosed
US-9611252-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2017-04-04 — — US disclosed
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2016-07-14 — — US disclosed
WO-2016011209-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2016-01-21 — — 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 (8 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-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 MAPT 2802/4885F10 332/4885NTRK1 3431/4885
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 MAPT 2802/4885F10 332/4885NTRK1 3431/4885
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 MAPT 2802/4885F10 332/4885NTRK1 3431/4885
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 MAPT 2802/4885F10 332/4885NTRK1 3431/4885
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 MAPT 2802/4885F10 332/4885NTRK1 3431/4885
US-10266515-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 MAPT 2802/4885F10 332/4885NTRK1 3431/4885
US-10259803-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 MAPT 2802/4885F10 332/4885NTRK1 3431/4885
US-11021463-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 MAPT 2802/4885F10 332/4885NTRK1 3431/4885

“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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