SCHEMBL4265145

SCHEMBL4265145

O=C(O)C=Cc1ccc(O)cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.72
TTR P02766 3/20 0.68
MIF P14174 1/20 0.64
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
PKM P14618 2/20 0.50
TYR P14679 2/20 0.50
CA12 O43570 1/20 0.50
AKR1B10 O60218 1/20 0.50
ESR1 P03372 1/20 0.50
CA3 P07451 1/20 0.50
AKR1B1 P15121 1/20 0.50
CA6 P23280 1/20 0.50
DPP4 P27487 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
ESR2 Q92731 1/20 0.50

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
SCHEMBL4265141 1.00 BACE1 (0.72) BACE1TTRMIFCA1CA2
SCHEMBL1646653 0.84 BACE1 (1.00) BACE1TTRAKR1B10AKR1B1MAOB
SCHEMBL1646654 0.84 BACE1 (1.00) BACE1TTRAKR1B10AKR1B1MAOB
SCHEMBL165227 0.83 MAPT (0.65) PKMMAPTMEN1KMT2ANPC1
SCHEMBL29419102 0.83 MAPT (0.65) PKMMAPTMEN1KMT2ANPC1
SCHEMBL481451 0.83 MAPT (0.65) PKMMAPTMEN1KMT2ANPC1
SCHEMBL28068228 0.82 TYR (0.72) BACE1TTRPKMTYRDPP4
SCHEMBL11459860 0.81 MAPT (0.63) PKMMAPTMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL6822024 0.81 MAPT (0.63) PKMMAPTMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL27093058 0.81 MAPT (0.63) PKMMAPTMEN1KMT2ANPC1

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
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
US-7053071-B2 For therapy of leukemia or other forms of cancer or for treating disease conditions caused by apoptosis of cells THE BURNHAM INSTITUTE (US) 2006-05-30 US disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP disclosed
EP-1456165-A1 INDUCTION OF APOPTOSIS IN CANCER CELLS The Burnham Institute (US) 2004-09-15 EP disclosed
US-20030176506-A1 Induction of apoptosis in cancer cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2003-09-18 US disclosed
WO-2003048101-A1 INDUCTION OF APOPTOSIS IN CANCER CELLS THE BURNHAM INSTITUTE (US) 2003-06-12 WO disclosed
EP-0155652-B2 PHOTOPOLYMERIZABLE MIXTURE AND RECORDING MATERIAL PRODUCED FROM IT E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-10 EP disclosed
EP-0155652-B1 PHOTOPOLYMERIZABLE MIXTURE AND RECORDING MATERIAL PRODUCED FROM IT E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-07 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 (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-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 BACE1 1069/4885TTR 362/4885MIF 655/4885
US-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR BACE1 4022/4885TTR 4688/4885MIF 1677/4885
US-20030176506-A1 Induction of apoptosis in cancer cells MCL1, BAD, BCL2 BACE1 3709/4885TTR 4544/4885MIF 3166/4885

“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.