Sugi Predict

Sugi Predict / Compounds / SCHEMBL21262971

SCHEMBL21262971

SCHEMBL21262971

Oc1cccc2c1C1(CO2)COc2cccc(O)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ EGFR P00533 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ FYN P06241 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ RECQL P46063 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ ADAMTS4 O75173 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ ABCG2 Q9UNQ0 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
SCHEMBL1764717 0.83 CNR1 (0.34) ALDH1A1HPGDALOX15HSD17B10EGFR
SCHEMBL29913397 0.79 ADAMTS4 (0.32) ALDH1A1HPGDALOX15HSD17B10EGFR
SCHEMBL1980294 0.79 ADAMTS4 (0.32) ALDH1A1HPGDALOX15HSD17B10EGFR
SCHEMBL18199055 0.72 TMEM97 (0.32) KDM4E
SCHEMBL28085951 0.72 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10SMN1; SMN2MEN1
SCHEMBL9904685 0.69 ITGB2 (0.38) ALDH1A1HPGDALOX15HSD17B10EGFR
SCHEMBL16661511 0.68 ITGB2 (0.37) LMNAITGB2ICAM1ITGALMAPT
SCHEMBL21953275 0.68 TYR (0.33) ALDH1A1HPGDALOX15HSD17B10CA2
SCHEMBL22467586 0.66 DRD1 (0.41) TDP1ABCG2ITGB2ICAM1ITGAL
SCHEMBL9833025 0.65 ABCG2 (0.42) LMNAABCG2ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185835-A1 SYNTHESIS AND USE OF OXA-SPIRODIPHOSPHINE LIGAND SHENZHEN CATALYS TECHNOLOGY CO., LTD (CN) 2022-06-16 — — US disclosed
US-11299507-B2 Synthesis and use of oxa-spirodiphosphine ligand SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2022-04-12 — — US disclosed
EP-3730502-A1 SYNTHESIS AND APPLICATION OF OXASPIROCYCLODIPHOSPHINE LIGAND SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2020-10-28 — — EP disclosed
US-20200308206-A1 SYNTHESIS AND USE OF OXA-SPIRODIPHOSPHINE LIGAND SHENZHEN CATALYS TECHNOLOGY CO., LTD (CN) 2020-10-01 — — US disclosed
WO-2019153203-A1 SYNTHESIS AND APPLICATION OF OXASPIROCYCLODIPHOSPHINE LIGAND 凯特立斯（深圳）科技有限公司 2019-08-15 — — 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 (3 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-20200308206-A1 SYNTHESIS AND USE OF OXA-SPIRODIPHOSPHINE LIGAND OXER1, OXGR1, PTMS ALDH1A1 683/4885HPGD 1016/4885ALOX15 1373/4885
US-20220185835-A1 SYNTHESIS AND USE OF OXA-SPIRODIPHOSPHINE LIGAND OXER1, OXGR1, ICOSLG ALDH1A1 784/4885HPGD 950/4885ALOX15 967/4885
US-11299507-B2 Synthesis and use of oxa-spirodiphosphine ligand OXER1, OXGR1, FOXO1 ALDH1A1 686/4885HPGD 997/4885ALOX15 1336/4885

“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.