SCHEMBL21518921

SCHEMBL21518921

COc1ccc(CN2C[C@@H](C(=O)O)[C@@H](C)C2=O)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 5/20 0.47
TSHR P16473 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
POLB P06746 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL22504168 1.00 BTK (0.49) BTKKMT2AMEN1ALDH1A1TSHR
SCHEMBL14814362 1.00 BTK (0.49) BTKKMT2AMEN1ALDH1A1TSHR
SCHEMBL21518920 1.00 BTK (0.49) BTKKMT2AMEN1ALDH1A1TSHR
SCHEMBL29093223 1.00 BTK (0.49) BTKKMT2AMEN1ALDH1A1TSHR
SCHEMBL14749827 1.00 BTK (0.49) BTKKMT2AMEN1ALDH1A1TSHR
SCHEMBL14814315 1.00 BTK (0.49) BTKKMT2AMEN1ALDH1A1TSHR
SCHEMBL29092737 1.00 BTK (0.49) BTKKMT2AMEN1ALDH1A1TSHR
SCHEMBL25905000 0.92 BTK (0.43) BTKKMT2AMEN1ALDH1A1TSHR
SCHEMBL14750099 0.90 BTK (0.56) BTKKMT2AMEN1ALDH1A1TSHR
SCHEMBL14814113 0.90 BTK (0.56) BTKKMT2AMEN1ALDH1A1TSHR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174646-A1 METHYLLACTAM RING COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2024-05-30 US disclosed
EP-4342466-A1 THERAPEUTIC OR PROPHYLACTIC METHOD FOR DIABETES USING COMBINATION MEDICINE Japan Tobacco Inc. (JP) 2024-03-27 EP disclosed
CN-111902408-B Heteroaryl substituted pyrazole compounds and pharmaceutical uses thereof 日本烟草产业株式会社 2023-11-14 CN disclosed
CN-111757877-B Methyllactam ring compounds and pharmaceutical uses thereof 日本烟草产业株式会社 2023-10-27 CN disclosed
US-20230210831-A1 CHRONIC KIDNEY DISEASE TREATMENT OR PREVENTION METHOD JAPAN TOBACCO INC. (JP) 2023-07-06 US disclosed
US-20230119894-A1 THERAPEUTIC OR PROPHYLACTIC METHOD FOR DIABETES USING COMBINATION MEDICINE JAPAN TOBACCO INC. (JP) 2023-04-20 US disclosed
EP-4026564-A1 THERAPEUTIC OR PROPHYLACTIC METHOD FOR DIABETES USING COMBINATION MEDICINE Japan Tobacco Inc. (JP) 2022-07-13 EP disclosed
EP-4026562-A1 CHRONIC KIDNEY DISEASE TREATMENT OR PREVENTION METHOD Japan Tobacco Inc. (JP) 2022-07-13 EP disclosed
CN-114641314-A Method for treating or preventing chronic kidney disease 日本烟草产业株式会社 2022-06-17 CN disclosed
CN-114585387-A Method for treating or preventing diabetes by using combined medicine 日本烟草产业株式会社 2022-06-03 CN disclosed
US-11014910-B2 Methyllactam ring compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2021-05-25 US disclosed
US-10988462-B2 Pyrazole compounds substituted with heteroaryl and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2021-04-27 US disclosed
WO-2021045161-A1 CHRONIC KIDNEY DISEASE TREATMENT OR PREVENTION METHOD 日本たばこ産業株式会社 2021-03-11 WO disclosed
WO-2021045159-A1 THERAPEUTIC OR PROPHYLACTIC METHOD FOR DIABETES USING COMBINATION MEDICINE 日本たばこ産業株式会社 2021-03-11 WO disclosed
EP-3778593-A1 HETEROARYL-SUBSTITUTED PYRAZOLE COMPOUND AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 2021-02-17 EP disclosed
EP-3760624-A1 METHYLLACTAM RING COMPOUND AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 2021-01-06 EP disclosed
CN-111902408-A Heteroaryl-substituted pyrazole compounds and pharmaceutical use thereof 日本烟草产业株式会社 2020-11-06 CN disclosed
CN-111757877-A Methylolactam ring compounds and pharmaceutical use thereof 日本烟草产业株式会社 2020-10-09 CN disclosed
US-20190352284-A1 METHYLLACTAM RING COMPOUND AND PHARMACEUTICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2019-11-21 US disclosed
US-20190330193-A1 PYRAZOLE COMPOUNDS SUBSTITUTED WITH HETEROARYL AND PHARMACEUTICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2019-10-31 US 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 (7 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-10988462-B2 Pyrazole compounds substituted with heteroaryl and pharmaceutical use thereof SLC5A1, SLC5A2, SULT2A1 BTK 4080/4885KMT2A 1814/4885MEN1 3437/4885
US-20190330193-A1 PYRAZOLE COMPOUNDS SUBSTITUTED WITH HETEROARYL AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SULT2A1 BTK 4080/4885KMT2A 1814/4885MEN1 3437/4885
US-11014910-B2 Methyllactam ring compound and pharmaceutical use thereof SLC5A1, SLC5A2, SLC5A6 BTK 1609/4885KMT2A 236/4885MEN1 951/4885
US-20230210831-A1 CHRONIC KIDNEY DISEASE TREATMENT OR PREVENTION METHOD SLC5A1, SLC5A2, REN BTK 2709/4885KMT2A 1249/4885MEN1 4016/4885
US-20240174646-A1 METHYLLACTAM RING COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC5A6 BTK 1609/4885KMT2A 236/4885MEN1 951/4885
US-20190352284-A1 METHYLLACTAM RING COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC5A6 BTK 1609/4885KMT2A 236/4885MEN1 951/4885
US-20230119894-A1 THERAPEUTIC OR PROPHYLACTIC METHOD FOR DIABETES USING COMBINATION MEDICINE DPP4, SLC5A1, SLC5A2 BTK 4261/4885KMT2A 2083/4885MEN1 3267/4885

“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.