SCHEMBL6136983

SCHEMBL6136983

O=C(O)Cc1ccc(O)c(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.52
CA2 P00918 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
CAMK2A Q9UQM7 6/20 0.45
TTR P02766 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RGS12 O14924 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
GNAI1 P63096 1/20 0.44
PMP22 Q01453 1/20 0.44

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
SCHEMBL4900831 0.83 CXCL8 (0.50) AKR1B1CA2CAMK2ATTRCXCL8
SCHEMBL11078314 0.82 AKR1B1 (0.67) AKR1B1CA2CAMK2ATTRPOLB
Hydrochloric Acid SCHEMBL11408340 0.81 CXCL8 (0.49) AKR1B1CA2CAMK2ATTRCXCL8
SCHEMBL21617921 0.78 AKR1B1 (0.45) AKR1B1CA2CAMK2ATTRMAPT
SCHEMBL6137046 0.78 CXCL8 (0.42) AKR1B1CAMK2ATTRTDP1CXCL8
SCHEMBL9477716 0.78 AKR1B1 (0.45) AKR1B1CA2CAMK2ATTRCXCL8
SCHEMBL30940438 0.76 AKR1B1 (0.58) AKR1B1CA2CAMK2APOLBKDM4E
SCHEMBL22798814 0.76 AKR1B1 (0.58) AKR1B1CAMK2ATTRKDM4EMAPT
SCHEMBL8685874 0.76 AKR1B1 (0.58) AKR1B1CA2CAMK2APOLBKDM4E
SCHEMBL29051963 0.75 AKR1B1 (0.61) AKR1B1CA2CYP3A4MAPK1CAMK2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2757093-B1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC (JP) 2016-12-07 EP disclosed
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 US disclosed
EP-2757093-A1 GUANIDINOBENZOIC ACID COMPOUND Astellas Pharma Inc. (JP) 2014-07-23 EP disclosed
WO-2013039187-A1 GUANIDINOBENZOIC ACID COMPOUND アステラス製薬株式会社 (JP) 2013-03-21 WO disclosed
EP-1011651-B1 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES MERCK & CO INC (US) 2005-04-27 EP disclosed
EP-1011651-A1 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES Merck & Co., Inc. (US) 2000-06-28 EP disclosed
EP-1011651-A4 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES MERCK & CO INC (US) 2000-06-28 EP disclosed
US-6020382-A Method of treating diabetes and related disease states MERCK & CO., INC. (US) 2000-02-01 US disclosed
US-5847008-A Method of treating diabetes and related disease states MERCK & CO., INC. (US) 1998-12-08 US disclosed
WO-1997027847-A1 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES MERCK & CO., INC. (US) 1997-08-07 WO disclosed
EP-0106565-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1986-09-10 EP disclosed
EP-0106565-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-25 EP 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 (1 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-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 AKR1B1 1375/4885CA2 801/4885CYP3A4 2624/4885

“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.