SCHEMBL2203443

SCHEMBL2203443

COC(=O)c1cc(-c2cccc(Br)c2)n(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
MAPT P10636 2/20 0.49
RECQL P46063 2/20 0.49
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
FAAH O00519 2/20 0.44
GRM5 P41594 1/20 0.44
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RPA1 P27694 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
TP53 P04637 1/20 0.41
ELANE P08246 3/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL4496559 0.86 FAAH (0.57) MMP2MMP13MMP14MAPTCYP1A2
SCHEMBL22578393 0.85 TP53 (0.54) MMP2MMP13MMP14MAPTFAAH
SCHEMBL2203114 0.85 RPA1 (0.51) MAPTGRM5RPA1ALDH1A1PLA2G10
SCHEMBL4296485 0.84 GRM5 (0.55) MMP2MMP13MMP14FAAHGRM5
SCHEMBL4504419 0.83 PLA2G10 (0.55) FAAHGRM5RPA1KDM4EALDH1A1
SCHEMBL3972438 0.81 MMP2 (0.44) MMP2MMP13MMP14MAPTCYP1A2
SCHEMBL3712001 0.80 MALT1 (0.51) MAPTRECQLCYP1A2GAAFAAH
SCHEMBL12278777 0.78 NR4A2 (0.49) MMP2MMP13MMP14MAPTALDH1A1
SCHEMBL25221707 0.77 NOTUM (0.56) MMP2MMP13MMP14RPA1KDM4E
SCHEMBL30982319 0.77 NOTUM (0.56) MMP2MMP13MMP14RPA1KDM4E

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
US-11667629-B2 Isoxazole derivative, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-06-06 US disclosed
US-11667629-B2 Isoxazole derivative, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-06-06 US disclosed
US-11667629-B2 Isoxazole derivative, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-06-06 US disclosed
CN-111263759-B Isoxazole derivative and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-03-28 CN disclosed
EP-3730491-B1 ISOXAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2022-07-20 EP disclosed
US-20200339558-A1 ISOXAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BiOTECH BIGPHARMACEUTICAL CO., LTD. (CN) 2020-10-29 US disclosed
US-20200339558-A1 ISOXAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BiOTECH BIGPHARMACEUTICAL CO., LTD. (CN) 2020-10-29 US disclosed
EP-3730491-A1 ISOXAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-28 EP disclosed
EP-3730491-A1 ISOXAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-28 EP disclosed
CN-111263759-A Isoxazole derivative and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2020-06-09 CN disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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 (4 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-20200339558-A1 ISOXAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF CYP4A11, CYP4F11, SLC10A1 MMP2 4423/4885MMP13 3976/4885MMP14 2830/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 MMP2 247/4885MMP13 520/4885MMP14 862/4885
US-11667629-B2 Isoxazole derivative, preparation method therefor, and use thereof CYP4A11, CYP4F11, SLC10A1 MMP2 4423/4885MMP13 3976/4885MMP14 2830/4885
US-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 MMP2 3554/4885MMP13 3612/4885MMP14 3729/4885

“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.