SCHEMBL20212441

SCHEMBL20212441

Cc1nc2ccccc2c(-c2ccc3c4c(ccnc24)CCO3)c1[C@H](O)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.76
▸ MAPT P10636 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPK14 Q16539 7/20 0.34
▸ CREBBP Q92793 1/20 0.33
▸ EDNRA P25101 3/20 0.33
▸ GAA P10253 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL20212446 1.00 CYP3A4 (0.76) CYP3A4MAPTNPSR1KDM4EALDH1A1
SCHEMBL13191163 0.91 CYP3A4 (0.72) CYP3A4MAPTNPSR1KDM4EALDH1A1
SCHEMBL1699718 0.88 CYP3A4 (0.62) CYP3A4MAPK14CREBBP
SCHEMBL1699715 0.88 CYP3A4 (0.62) CYP3A4MAPK14CREBBP
Bi-224436 SCHEMBL29450566 0.87 CYP3A4 (1.00) CYP3A4MAPTNPSR1KDM4EALDH1A1
Bi-224436 SCHEMBL12987894 0.87 CYP3A4 (1.00) CYP3A4MAPTNPSR1KDM4EALDH1A1
SCHEMBL13191539 0.83 CYP3A4 (0.65) CYP3A4MAPTNPSR1KDM4EALDH1A1
SCHEMBL13191166 0.83 CYP3A4 (0.87) CYP3A4MAPTNPSR1KDM4EALDH1A1
SCHEMBL13191540 0.82 CYP3A4 (0.85) CYP3A4MAPTNPSR1KDM4EALDH1A1
SCHEMBL26076852 0.82 CYP3A4 (0.78) CYP3A4MAPK14EDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544177-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-01-28 — — US disclosed
EP-3551638-A2 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF Boehringer Ingelheim International GmbH (DE) 2019-10-16 — — EP disclosed
US-20190144475-A1 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-05-16 — — US disclosed
US-10221203-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-03-05 — — US disclosed
WO-2018106746-A2 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-14 — — WO disclosed
US-20180155375-A1 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-07 — — 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 (4 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-20190144475-A1 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF DCPS, PPIP5K2, PNPO CYP3A4 1314/4885MAPT 2887/4885NPSR1 2364/4885
US-10544177-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof DCPS, PNPO, PPIP5K2 CYP3A4 1241/4885MAPT 2912/4885NPSR1 2140/4885
US-10221203-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof DCPS, PNPO, PPIP5K2 CYP3A4 1241/4885MAPT 2912/4885NPSR1 2140/4885
US-20180155375-A1 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF DCPS, PPIP5K2, PNPO CYP3A4 1314/4885MAPT 2887/4885NPSR1 2364/4885

“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.

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