SCHEMBL12192025

SCHEMBL12192025

N=c1ccc2c(-c3ccccc3C(=O)O)c3ccc(NC(=O)c4ccc(B(O)O)cc4)cc3oc-2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.50
▸ USP2 O75604 2/20 0.49
▸ CFTR P13569 1/20 0.49
▸ PAX8 Q06710 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ GOPC Q9HD26 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.42
▸ MAOB P27338 1/20 0.40
▸ CA9 Q16790 6/20 0.40
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ FTO Q9C0B1 2/20 0.38
▸ CA12 O43570 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL10013900 0.83 ABCB1 (0.59) ABCB1USP2CFTRPAX8ATM
SCHEMBL14350757 0.81 ABCB1 (0.61) ABCB1USP2CFTRPAX8ATM
SCHEMBL16985958 0.81 ABCB1 (0.56) ABCB1USP2CFTRPAX8ATM
SCHEMBL10082268 0.80 CA9 (0.50) USP2ATMCA9CA1CA2
SCHEMBL4572003 0.77 SMN1; SMN2 (0.55) ABCB1USP2CFTRPAX8ATM
SCHEMBL16232679 0.76 ABCB1 (0.58) ABCB1USP2CFTRPAX8ATM
SCHEMBL458205 0.76 ABCB1 (0.77) ABCB1USP2CFTRPAX8ATM
SCHEMBL13966918 0.76 ABCB1 (0.61) ABCB1USP2CFTRPAX8ATM
Hydrochloric Acid SCHEMBL29376502 0.75 USP2 (0.76) ABCB1USP2CFTRPAX8ATM
SCHEMBL10082261 0.75 USP2 (0.56) ABCB1USP2CFTRPAX8ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS Cercacor Laboratories, Inc (US) 2014-05-08 — — US disclosed
US-8029765-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-10-04 — — US disclosed
US-8029765-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-10-04 — — US disclosed
US-8008088-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-08-30 — — US disclosed
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors MASIMO LABORATORIES, INC. (US) 2009-01-01 — — US disclosed
US-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. 2007-05-17 — — US disclosed
US-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. 2007-05-17 — — 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 (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-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS GCKR, SYMPK, SUCNR1 ABCB1 2393/4885USP2 3927/4885CFTR 2752/4885
US-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors GCKR, SYMPK, SUCNR1 ABCB1 2393/4885USP2 3927/4885CFTR 2752/4885
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors GCKR, SYMPK, SUCNR1 ABCB1 2393/4885USP2 3927/4885CFTR 2752/4885

“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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