SCHEMBL17304237

SCHEMBL17304237

COCc1cc(B2OC(C)(C)C(C)(C)O2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 11/20 0.38
LIPG Q9Y5X9 11/20 0.38
DGAT1 O75907 2/20 0.37
F11 P03951 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
SNCA P37840 1/20 0.34
HIF1A Q16665 1/20 0.34
CSF1R P07333 1/20 0.33

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
SCHEMBL27095110 0.84 DGAT1 (0.36) LPLLIPGDGAT1CA1CA2
SCHEMBL2458829 0.84 LPL (0.44) LPLLIPGF11HIF1A
SCHEMBL31227320 0.84 LPL (0.44) LPLLIPGF11HIF1A
SCHEMBL1476168 0.83 DGAT1 (0.38) LPLLIPGDGAT1CA1CA2
SCHEMBL15984293 0.83 LIPG (0.39) LPLLIPGDGAT1F11HIF1A
SCHEMBL31469519 0.83 LPL (0.40) LPLLIPGF11
SCHEMBL2427482 0.83 LPL (0.40) LPLLIPGF11
SCHEMBL28507924 0.82 F11 (0.37) LPLLIPGDGAT1F11CA1
SCHEMBL16465738 0.81 LPL (0.53) LPLLIPG
SCHEMBL18113825 0.79 ESR2 (0.39) LPLLIPGDGAT1F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285377-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-09-14 US disclosed
EP-3150592-B1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO LTD (CN) 2023-08-30 EP disclosed
CN-115715189-A KCNT1 inhibitors and methods of use 普拉西斯精密医药公司 2023-02-24 CN disclosed
EP-4125831-A2 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2023-02-08 EP disclosed
WO-2021195066-A2 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2021-09-30 WO disclosed
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof BEIJING PEARL BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) 2018-07-17 US disclosed
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof BEIJING PEARL BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) 2018-07-17 US disclosed
US-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO., LTD (CN) 2017-08-31 US disclosed
US-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO., LTD (CN) 2017-08-31 US disclosed
EP-3150592-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF Beijing Pearl Biotechnology Limited Liability Company (CN) 2017-04-05 EP disclosed
WO-2015180685-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF 北京浦润奥生物科技有限责任公司 2015-12-03 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 (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-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF ALK, BRAF, ABL1 LPL 1708/4885LIPG 1078/4885DGAT1 1720/4885
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof ALK, BRAF, ABL1 LPL 1708/4885LIPG 1078/4885DGAT1 1720/4885
US-20230285377-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 LPL 4175/4885LIPG 4637/4885DGAT1 512/4885

“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.