SCHEMBL20912901

SCHEMBL20912901

CCOC(=O)c1cc(Br)c(CCCO)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
PTPN2 P17706 2/20 0.43
USP2 O75604 1/20 0.43
KDM4E B2RXH2 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
ATM Q13315 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 5/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38

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
SCHEMBL10109854 0.78 PTPN2 (0.49) PTPN2KDM4EL3MBTL1ALDH1A1HSD17B10
SCHEMBL422589 0.78 POLB (0.57) PTPN2KDM4EL3MBTL1ALDH1A1HSD17B10
SCHEMBL22607895 0.75 USP2 (0.47) CYP4F2CYP4A11PTPN2USP2KDM4E
SCHEMBL19737212 0.75 MAPK14 (0.41) CYP4F2CYP4A11KDM4EL3MBTL1ALDH1A1
SCHEMBL20926005 0.75 CYP4F2 (0.38) CYP4F2CYP4A11PTPN2KDM4EL3MBTL1
SCHEMBL23135913 0.75 MAPK14 (0.39) CYP4F2CYP4A11KDM4EL3MBTL1ALDH1A1
SCHEMBL28939258 0.73 ALDH1A1 (0.43) CYP4F2CYP4A11KDM4EALDH1A1HSD17B10
SCHEMBL2653067 0.73 HDAC3 (0.51) CYP4F2CYP4A11KDM4EL3MBTL1ALDH1A1
SCHEMBL7836036 0.73 CYP4A11 (0.44) CYP4F2CYP4A11KDM4EL3MBTL1ALDH1A1
SCHEMBL1529648 0.72 USP2 (0.51) PTPN2USP2KDM4EL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116583525-A Pyrazoloazepine AKT inhibitor 南京正大天晴制药有限公司 2023-08-11 CN disclosed
EP-3725791-B1 SALT SERVING AS AKT INHIBITOR AND CRYSTAL THEREOF HARBIN ZHENBAO PHARMACEUTICAL CO LTD (CN) 2023-03-15 EP disclosed
WO-2022121788-A1 PYRAZOLOAZEPINE AKT INHIBITOR 南京正大天晴制药有限公司 2022-06-16 WO disclosed
EP-3725791-A1 SALT SERVING AS AKT INHIBITOR AND CRYSTAL THEREOF Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2020-10-21 EP disclosed
US-10654868-B2 Dihydropyrazole azepine compound serving as Akt inhibitor Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2020-05-19 US disclosed
US-20190233434-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2019-08-01 US disclosed
EP-3473628-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR Medshine Discovery Inc. (CN) 2019-04-24 EP 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 (2 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-10654868-B2 Dihydropyrazole azepine compound serving as Akt inhibitor AKT3, AKT2, AKT1 CYP4F2 3483/4885CYP4A11 3180/4885PTPN2 568/4885
US-20190233434-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR AKT3, AKT2, AKT1 CYP4F2 3483/4885CYP4A11 3180/4885PTPN2 568/4885

“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.