SCHEMBL359804

SCHEMBL359804

Cc1cc(B(O)O)n(C(=O)OC(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.37
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 2/20 0.34
CASP1 P29466 1/20 0.34
ELANE P08246 1/20 0.33
GAA P10253 2/20 0.33
ENPP3 O14638 3/20 0.33
ALPL P05186 3/20 0.33
XIAP P98170 3/20 0.33
KDM4E B2RXH2 1/20 0.33
BCHE P06276 1/20 0.32

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
SCHEMBL29955242 0.81 MAP2K4 (0.36) FAAHALDH1A1L3MBTL1ELANEKDM4E
SCHEMBL14632793 0.80 TSHR (0.50) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL174902 0.78 ALDH1A1 (0.43) FAAHTSHRALDH1A1MEN1CYP1A2
SCHEMBL23649120 0.75 FAAH (0.37) FAAHTSHRALDH1A1MEN1CYP1A2
SCHEMBL362915 0.73 FAAH (0.38) FAAHMEN1KMT2AMAPK1ELANE
SCHEMBL19020743 0.73 FAAH (0.38) FAAHTSHRALDH1A1MEN1CYP1A2
SCHEMBL13426392 0.72 NPC1 (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14060432 0.70 FAAH (0.38) FAAHELANE
SCHEMBL26712709 0.70 FAAH (0.38) FAAHELANE
SCHEMBL24174535 0.70 SMN1; SMN2 (0.42) FAAHTSHRMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12486274-B2 Substituted pyrazolo-pyrimidines and uses thereof Verge Analytics, Inc. (US) 2025-12-02 US disclosed
US-12371430-B2 5-morpholin-4-yl-pyrazolo[4,3-b]pyridine derivatives MERCK PATENT GMBH (DE) 2025-07-29 US disclosed
CN-115209952-B Substituted pyrazolopyrimidines and use thereof 维基分析有限公司 2025-05-30 CN disclosed
US-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors INITIAL THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
WO-2024226875-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR ATTENUATION OF MAMMALIAN TRANSLATION OF C-MYC OR N-MYC PROTEINS OF THE MYC PROTO-ONCOGENE FAMILY OF BHLH TRANSCRIPTION FACTORS INITIAL THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed
US-20230295166-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-09-21 US disclosed
US-20230295166-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-09-21 US disclosed
US-20230295166-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-09-21 US disclosed
CN-116507337-A ATR inhibitors and uses thereof 上海德琪医药科技有限公司 2023-07-28 CN disclosed
EP-4192836-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-06-14 EP disclosed
US-8975265-B2 Substituted imidazo[1,2-a]pyrimidines and —pyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-10 US disclosed
EP-2814830-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR F.HOFFMANN-LA ROCHE AG (CH) 2014-12-24 EP disclosed
US-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2014-10-23 US disclosed
EP-2760865-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C Research Laboratories (KR) 2014-08-06 EP disclosed
US-20130217666-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR GENENTECH, INC. (US) 2013-08-22 US disclosed
WO-2013120980-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 WO disclosed
US-20130190332-A1 Substituted Imidazo[1,2-a]pyrimidines and -pyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
EP-2593451-A2 SUBSTITUTED IMIDAZO[1,2-A]PYRIMIDINES AND -PYRIDINES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP disclosed
WO-2013048214-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2013-04-04 WO disclosed
WO-2012007345-A2 SUBSTITUTED IMIDAZO[1,2-A]PYRIMIDINES AND -PYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 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 (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-12486274-B2 Substituted pyrazolo-pyrimidines and uses thereof PIKFYVE, PIP4K2B, PIP4K2C FAAH 4399/4885TSHR 3314/4885ALDH1A1 4827/4885
US-20230295166-A1 ATR INHIBITORS AND USES THEREOF ATR, CHEK1, CHEK2 FAAH 4677/4885TSHR 3236/4885ALDH1A1 4462/4885
US-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES HRH4, HRH2, HRH1 FAAH 660/4885TSHR 42/4885ALDH1A1 2773/4885
US-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors MYCBP, MYC, MYCBP2 FAAH 4686/4885TSHR 4270/4885ALDH1A1 3684/4885
US-20130217666-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR NFKB1, NFKBIA, RELA FAAH 1650/4885TSHR 1973/4885ALDH1A1 1474/4885
US-20130190332-A1 Substituted Imidazo[1,2-a]pyrimidines and -pyridines PIK3CA, PIK3CD, PIK3CB FAAH 4585/4885TSHR 1944/4885ALDH1A1 1140/4885
US-12371430-B2 5-morpholin-4-yl-pyrazolo[4,3-b]pyridine derivatives ATR, CDK1, CDKN1A FAAH 4697/4885TSHR 1012/4885ALDH1A1 2340/4885

“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.