SCHEMBL4554909

SCHEMBL4554909

CC1(C)OB(c2cccc3c2CN(C(=O)O)C3)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.41
ABHD6 Q9BV23 4/20 0.38
NOTUM Q6P988 2/20 0.35
TRAP1 Q12931 3/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
HSP90B1 P14625 1/20 0.33
P4HB P07237 1/20 0.33
LPL P06858 1/20 0.33
UCHL1 P09936 1/20 0.32
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
JAK2 O60674 2/20 0.31
BTK Q06187 2/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 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
SCHEMBL15272805 0.88 ABHD6 (0.41) ROCK1ABHD6NOTUMUCHL1
SCHEMBL5492374 0.88 NOTUM (0.38) ROCK1ABHD6NOTUMHRH3
SCHEMBL16101023 0.85 ROCK1 (0.39) ROCK1ABHD6BTK
SCHEMBL29814594 0.83 DDB1 (0.49) ROCK1ABHD6UCHL1DDB1CRBN
SCHEMBL3598269 0.83 DDB1 (0.49) ROCK1ABHD6UCHL1DDB1CRBN
SCHEMBL31428727 0.81 NOTUM (0.50) ROCK1ABHD6NOTUM
SCHEMBL4518196 0.81 NOTUM (0.50) ROCK1ABHD6NOTUM
SCHEMBL17699948 0.80 ROCK1 (0.41) ROCK1NOTUMLIPGP4HBLPL
SCHEMBL24191705 0.77 BTK (0.44) ROCK1ABHD6BTK
SCHEMBL14677886 0.77 ABHD6 (0.44) ROCK1ABHD6NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023240024-A1 SULFAMIDE DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-11053197-B2 Carbazole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 US disclosed
US-20200255377-A1 CARBAZOLE DERIVATIVES Organization Name: BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-13 US disclosed
US-10676434-B2 Carbazole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-09 US disclosed
EP-3209651-B9 CARBAZOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2020-05-20 EP disclosed
EP-3055301-B1 (2-(5-ISOINDOLIN-2-YL)PYRIMIDIN-4-YL)-AMINE DERIVATIVES AS RHO KINASE INHIBITORS FOR TREATING AUTOIMMUNE DISEASES KADMON CORP LLC (US) 2019-11-20 EP disclosed
EP-3209651-B1 CARBAZOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2019-10-23 EP disclosed
US-20190225583-A1 CARBAZOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2019-07-25 US disclosed
US-10266491-B2 Carbazole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-23 US disclosed
US-10125144-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2018-11-13 US disclosed
US-20170362176-A1 CARBAZOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-21 US disclosed
EP-3209651-A1 CARBAZOLE DERIVATIVES Bristol-Myers Squibb Company (US) 2017-08-30 EP disclosed
US-20160237095-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2016-08-18 US disclosed
EP-2125778-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY Millennium Pharmaceuticals, Inc. (US) 2009-12-02 EP disclosed
WO-2008079277-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-03 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 (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-20160237095-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK1 2/4885ABHD6 4481/4885NOTUM 3265/4885
US-10266491-B2 Carbazole derivatives BTK, SYK, JAK2 ROCK1 54/4885ABHD6 4380/4885NOTUM 3793/4885
US-10125144-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA ROCK1 2/4885ABHD6 4481/4885NOTUM 3265/4885
US-10676434-B2 Carbazole derivatives BTK, SYK, JAK2 ROCK1 73/4885ABHD6 4173/4885NOTUM 3710/4885
US-20170362176-A1 CARBAZOLE DERIVATIVES BTK, SYK, JAK2 ROCK1 54/4885ABHD6 4380/4885NOTUM 3793/4885
US-11053197-B2 Carbazole derivatives BTK, SYK, JAK2 ROCK1 73/4885ABHD6 4173/4885NOTUM 3710/4885
US-20190225583-A1 CARBAZOLE DERIVATIVES BTK, SYK, JAK2 ROCK1 73/4885ABHD6 4173/4885NOTUM 3710/4885
US-20200255377-A1 CARBAZOLE DERIVATIVES BTK, SYK, JAK2 ROCK1 73/4885ABHD6 4173/4885NOTUM 3710/4885

“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.