SCHEMBL20211752

SCHEMBL20211752

COC(=O)C(Cc1ccccc1)NC(=O)C(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.63
ALDH1A1 P00352 3/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
THRB P10828 1/20 0.62
HSD17B10 Q99714 1/20 0.62
POLB P06746 2/20 0.60
LMNA P02545 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
GLA P06280 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.55
KLK5 Q9Y337 1/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MDM4 O15151 1/20 0.54
MDM2 Q00987 1/20 0.54
GFER P55789 1/20 0.54

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
SCHEMBL11940456 1.00 ATM (0.63) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL12863012 1.00 ATM (0.63) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL12563723 0.88 ATM (0.60) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL23170061 0.88 CTSG (0.53) ATMPOLBGAARAB9A
SCHEMBL30402446 0.88 ATM (0.54) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL12863003 0.87 MDM4 (0.60) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL5693509 0.87 ATM (0.62) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL13900785 0.87 ATM (0.62) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL30401614 0.86 BIRC2 (0.60) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
SCHEMBL12863002 0.86 NPSR1 (0.69) KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551639-B1 NOVEL CHIRAL DIHYDROBENZOAZAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INT (DE) 2023-08-23 EP disclosed
EP-3551639-B1 NOVEL CHIRAL DIHYDROBENZOAZAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INT (DE) 2023-08-23 EP disclosed
EP-3551639-A1 NOVEL CHIRAL DIHYDROBENZOAZAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF Boehringer Ingelheim International GmbH (DE) 2019-10-16 EP disclosed
US-10196413-B2 Chiral dihydrobenzoazaphosphole ligands and synthesis thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-02-05 US disclosed
US-10196413-B2 Chiral dihydrobenzoazaphosphole ligands and synthesis thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-02-05 US disclosed
WO-2018106621-A1 NOVEL CHIRAL DIHYDROBENZOAZAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-14 WO disclosed
WO-2018106621-A1 NOVEL CHIRAL DIHYDROBENZOAZAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-14 WO disclosed
US-20180155377-A1 NOVEL CHIRAL DIHYDROBENZOAZAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-07 US disclosed
US-20180155377-A1 NOVEL CHIRAL DIHYDROBENZOAZAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-07 US disclosed
US-20180155377-A1 NOVEL CHIRAL DIHYDROBENZOAZAPHOSPHOLE 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 (2 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-20180155377-A1 NOVEL CHIRAL DIHYDROBENZOAZAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF FDPS, GNPAT, PPIP5K2 ATM 4517/4885ALDH1A1 1332/4885CYP2C9 2507/4885
US-10196413-B2 Chiral dihydrobenzoazaphosphole ligands and synthesis thereof DHODH, FDPS, GNPAT ATM 4577/4885ALDH1A1 1159/4885CYP2C9 2092/4885

“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.