SCHEMBL4906649

SCHEMBL4906649

CCOC(=O)c1cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.58
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
RAB9A P51151 3/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ATM Q13315 1/20 0.53
HSD17B10 Q99714 2/20 0.51
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
MMP13 P45452 8/20 0.47
MMP2 P08253 6/20 0.47

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
SCHEMBL488403 0.91 KDM4E (0.61) ALOX15KDM4EALDH1A1HPGDRAB9A
SCHEMBL20611920 0.86 XDH (0.41) ALOX15KDM4EALDH1A1HPGDRAB9A
SCHEMBL20611918 0.82 EIF4A3 (0.50) ALOX15KDM4EALDH1A1HPGDLMNA
SCHEMBL24944316 0.80 ALOX15 (0.60) ALOX15KDM4EALDH1A1RAB9ANPC1
SCHEMBL21983562 0.79 ALOX15 (0.38) ALOX15KDM4EALDH1A1HPGDRAB9A
SCHEMBL2735974 0.77 XDH (0.50) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL5623372 0.76 KDM4E (0.78) ALOX15KDM4EALDH1A1HPGDRAB9A
SCHEMBL4166682 0.75 CDK1 (0.49) ALOX15KDM4EALDH1A1HPGDRAB9A
SCHEMBL71101 0.75 ALOX15 (0.72) ALOX15KDM4EALDH1A1HPGDRAB9A
SCHEMBL17368519 0.75 ALOX15 (0.72) ALOX15KDM4EALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024029583-A1 NOVEL PYRAZOLE DERIVATIVE AND USE OF SAME 国立研究開発法人理化学研究所 2024-02-08 WO disclosed
US-20230312530-A1 SALT OF RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, SOLID FORM OF THE SALT, PREPARATION METHOD FOR SAME, AND USES THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-10-05 US disclosed
US-20230312530-A1 SALT OF RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, SOLID FORM OF THE SALT, PREPARATION METHOD FOR SAME, AND USES THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-10-05 US disclosed
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
US-11130749-B2 2021-09-28 US disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 US disclosed
WO-2019001572-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF 北京泰德制药股份有限公司 2019-01-03 WO disclosed
WO-2009007751-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO disclosed
EP-1572693-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds PHARMACIA CORPORATION 2004-10-21 US disclosed
WO-2004058762-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 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 (6 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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 ALOX15 1876/4885KDM4E 2711/4885ALDH1A1 1094/4885
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds MAPKAPK2, MAP3K2, MKNK2 ALOX15 3087/4885KDM4E 2767/4885ALDH1A1 4638/4885
US-20230312530-A1 SALT OF RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, SOLID FORM OF THE SALT, PREPARATION METHOD FOR SAME, AND USES THEREOF ROCK2, ROCK1, ARHGDIB ALOX15 4477/4885KDM4E 905/4885ALDH1A1 4195/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA ALOX15 2102/4885KDM4E 2224/4885ALDH1A1 4501/4885
US-11130749-B2 ROCK1, RHOA, ROCK2 ALOX15 1526/4885KDM4E 3164/4885ALDH1A1 4171/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA ALOX15 2102/4885KDM4E 2224/4885ALDH1A1 4501/4885

“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.