Sugi Predict

Sugi Predict / Compounds / SCHEMBL754622

SCHEMBL754622

SCHEMBL754622

CCOC(=O)c1cc[nH]c(=O)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.49
▸ NUDT1 P36639 1/20 0.49
▸ MAPT P10636 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ GAA P10253 2/20 0.47
▸ CA12 O43570 4/20 0.46
▸ CA1 P00915 4/20 0.46
▸ CA2 P00918 4/20 0.46
▸ CA7 P43166 4/20 0.46
▸ CA9 Q16790 4/20 0.46
▸ CA14 Q9ULX7 4/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 1/20 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
SCHEMBL6219929 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL23674982 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL14829330 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL7416822 0.80 KMT2A (0.52) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL1156163 0.79 KMT2A (0.58) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL930113 0.78 TSHR (0.61) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL30960327 0.78 TSHR (0.65) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL4262832 0.78 TSHR (0.65) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL2069470 0.77 KMT2A (0.56) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL163150 0.77 KMT2A (0.56) ALDH1A1KDM4EHPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778311-B Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-06-04 — — CN disclosed
US-20220143229-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-12 — — US disclosed
US-20220143229-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-12 — — US disclosed
US-11260136-B2 Radio-pharmaceutical complexes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-03-01 — — US disclosed
US-20210322583-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2021-10-21 — — US disclosed
US-20210322583-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2021-10-21 — — US disclosed
CN-112778311-A Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-05-11 — — CN disclosed
EP-2816038-B1 HOPO CHELATORS LUMIPHORE INC (US) 2019-11-20 — — EP disclosed
US-20190298865-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-03 — — US disclosed
US-20190298865-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-03 — — US disclosed
WO-2013049104-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — WO disclosed
US-20120214253-A1 MACROCYCLIC HOPO CHELATORS LUMIPHORE, INC. (US) 2012-08-23 — — US disclosed
EP-2470513-A1 MACROCYCLIC HOPO CHELATORS Lumiphore, Inc. (US) 2012-07-04 — — EP disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 — — EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 — — EP disclosed
WO-2011025790-A1 MACROCYCLIC HOPO CHELATORS LUMIPHORE, INC. (US) 2011-03-03 — — WO disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 — — EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 — — EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 — — US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 — — 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 (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-20210322583-A1 RADIO-PHARMACEUTICAL COMPLEXES PTMS, THOP1, PHPT1 ALDH1A1 3512/4885KDM4E 4009/4885HPGD 1440/4885
US-20220143229-A1 RADIO-PHARMACEUTICAL COMPLEXES EGFR, MET, ERBB2 ALDH1A1 3506/4885KDM4E 1959/4885HPGD 608/4885
US-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT ALDH1A1 658/4885KDM4E 336/4885HPGD 2278/4885
US-11260136-B2 Radio-pharmaceutical complexes EGFR, MET, ERBB2 ALDH1A1 3148/4885KDM4E 2112/4885HPGD 531/4885
US-20120214253-A1 MACROCYCLIC HOPO CHELATORS PHPT1, SSB, CD69 ALDH1A1 4846/4885KDM4E 2605/4885HPGD 300/4885
US-20190298865-A1 RADIO-PHARMACEUTICAL COMPLEXES FAP, PHPT1, DNPEP ALDH1A1 2075/4885KDM4E 1459/4885HPGD 632/4885

“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.