SCHEMBL10028683

SCHEMBL10028683

COC(=O)c1cncc(OBO)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.57
▸ CYP11B2 P19099 5/20 0.47
▸ CYP11B1 P15538 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP2A6 P11509 1/20 0.44
▸ GRM5 P41594 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.40
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ SIRT3 Q9NTG7 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL28098032 0.83 CYP2C19 (0.60) ATMALDH1A1CA1CA2CA12
SCHEMBL1439962 0.82 ATM (0.65) ATMCYP11B2CYP11B1ALDH1A1CYP2A6
SCHEMBL13326244 0.81 ATM (0.62) ATMCYP11B2CYP11B1ALDH1A1CYP2A6
SCHEMBL56951 0.80 ATM (0.77) ATMCYP11B2CYP11B1ALDH1A1CYP2A6
SCHEMBL10372910 0.78 ATM (0.59) ATMCYP11B2CYP11B1ALDH1A1CYP2A6
Hydrochloric Acid SCHEMBL2298745 0.78 ATM (0.74) ATMCYP11B2CYP11B1ALDH1A1CYP2A6
SCHEMBL30890087 0.77 ATM (0.57) ATMCYP11B2CYP11B1ALDH1A1CYP2A6
SCHEMBL4209337 0.77 ATM (0.57) ATMCYP11B2CYP11B1ALDH1A1CYP2A6
SCHEMBL14805797 0.77 ATM (0.57) ATMCYP11B2CYP11B1ALDH1A1CYP2A6
SCHEMBL27871827 0.77 ATM (0.57) ATMCYP11B2CYP11B1ALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658795-B2 Pyridinium boronic acid quenchers for use in analyte sensors GLUMETRICS, INC. (US) 2014-02-25 — — US disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 — — US disclosed
US-8569292-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-10-29 — — US disclosed
US-8487094-B2 Synthesis of inhibitors of 11β-hydroxysteroid dehydrogenase type 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 — — US disclosed
US-20120208286-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS, INC. (US) 2012-08-16 — — US disclosed
US-8178676-B2 Pyridinium boronic acid quenchers for use in analyte sensors GLUMETRICS, INC. (US) 2012-05-15 — — US disclosed
US-20110269957-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — US disclosed
US-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 Vitae Pharmaceuticals, Inc. Boehringer Ingelheim International GmbH 2011-10-27 — — US disclosed
US-20110171742-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS, INC. (US) 2011-07-14 — — US disclosed
US-7939664-B2 Pyridinium boronic acid quenchers for use in analyte sensors GLUMETRICS INC. (US) 2011-05-10 — — US disclosed
US-20080305009-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS INC. (US) 2008-12-11 — — 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 (5 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-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD11B2 ATM 3867/4885CYP11B2 11/4885CYP11B1 5/4885
US-20120208286-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS BLVRB, PDXK, PNPO ATM 4707/4885CYP11B2 1136/4885CYP11B1 1331/4885
US-20110269957-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ATM 2322/4885CYP11B2 12/4885CYP11B1 8/4885
US-20080305009-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS BLVRB, PDXK, PNPO ATM 4707/4885CYP11B2 1136/4885CYP11B1 1331/4885
US-20110171742-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS BLVRB, PDXK, PNPO ATM 4707/4885CYP11B2 1136/4885CYP11B1 1331/4885

“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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