SCHEMBL2992708

SCHEMBL2992708

C=CC(=O)N(CC(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 3/20 0.54
PSMB5 P28074 2/20 0.45
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.41
BCL2A1 Q16548 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRA2C P18825 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
AKT1 P31749 1/20 0.39

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
SCHEMBL169432 0.87 ALDH1A1 (0.46) GSTO1PSMB5ALDH1A1GLATSHR
SCHEMBL17666061 0.84 PSMB5 (0.47) GSTO1PSMB5BCL2A1CYP2C19
SCHEMBL20314798 0.82 GSTO1 (0.58) GSTO1PSMB5ALDH1A1GLATSHR
SCHEMBL20314802 0.82 PSMB5 (0.50) GSTO1PSMB5ALDH1A1BCL2A1
SCHEMBL25434439 0.81 BCL2A1 (0.44) GSTO1PSMB5ALDH1A1GLATSHR
SCHEMBL194846 0.81 ALDH1A1 (0.63) ALDH1A1GLATSHRTRPM8MEN1
SCHEMBL19456786 0.81 NPC1 (0.51) GSTO1PSMB5ALDH1A1GLATSHR
SCHEMBL4202416 0.81 ALDH1A1 (0.44) GSTO1PSMB5ALDH1A1GLATSHR
SCHEMBL17666060 0.80 BCL2A1 (0.44) GSTO1PSMB5BCL2A1
SCHEMBL27847921 0.80 TRPM8 (0.64) GSTO1ALDH1A1GLATRPM8BCL2A1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119415-A1 GRAFT COPOLYMER FOR CATION-EXCHANGE CHROMATOGRAPHY MERCK PATENT GMBH (DE) 2019-04-25 US claimed
EP-2152405-B2 GRAFT COPOLYMER FOR CATION-EXCHANGE CHROMATOGRAPHY MERCK PATENT GMBH (DE) 2017-04-05 EP claimed
US-20140183136-A1 GRAFT COPOLYMER FOR CATION-EXCHANGE CHROMATOGRAPHY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2014-07-03 US claimed
EP-2152405-B1 GRAFT COPOLYMER FOR CATION-EXCHANGE CHROMATOGRAPHY MERCK PATENT GMBH (DE) 2012-10-17 EP claimed
US-20100181254-A1 GRAFT COPOLYMER FOR CATION- EXCHANGE CHROMATOGRAPHY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-07-22 US claimed
EP-2152405-A1 GRAFT COPOLYMER FOR CATION-EXCHANGE CHROMATOGRAPHY Merck Patent GmbH (DE) 2010-02-17 EP claimed
WO-2008145270-A1 GRAFT COPOLYMER FOR CATION-EXCHANGE CHROMATOGRAPHY MERCK PATENT GMBH (DE) 2008-12-04 WO claimed
US-10669289-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2020-06-02 US disclosed
EP-3201206-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2019-09-18 EP disclosed
US-20190119415-A1 GRAFT COPOLYMER FOR CATION-EXCHANGE CHROMATOGRAPHY MERCK PATENT GMBH (DE) 2019-04-25 US disclosed
US-20180179232-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2018-06-28 US disclosed
US-20180179232-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2018-06-28 US disclosed
EP-2152405-B2 GRAFT COPOLYMER FOR CATION-EXCHANGE CHROMATOGRAPHY MERCK PATENT GMBH (DE) 2017-04-05 EP disclosed
EP-1734057-B1 Temperature, irradiation or polymerization indicators HERAEUS KULZER GMBH (DE) 2009-03-25 EP disclosed
WO-2008145270-A1 GRAFT COPOLYMER FOR CATION-EXCHANGE CHROMATOGRAPHY MERCK PATENT GMBH (DE) 2008-12-04 WO disclosed
US-20070218404-A1 Infrared-sensitive lithographic printing plate FUJIFILM CORPORATION (JP) 2007-09-20 US disclosed
US-20070218404-A1 Infrared-sensitive lithographic printing plate FUJIFILM CORPORATION (JP) 2007-09-20 US disclosed
EP-1734057-A2 Temperature, irradiation or polymerization indicators Heraeus Kulzer GmbH (DE) 2006-12-20 EP disclosed
US-20060280649-A1 Temperature/irradiation/polymerization indicators HERAEUS KULZER GMBH (DE) 2006-12-14 US disclosed
US-4308014-A AN UNSATURATED ESTER OR AMIDE, A TITANIUM ALKOXIDE OR A TRIALKOXY SILANE, A FREE RADICAL CATALYST AND AN ACTIVATOR; DENTISTRY KANEBO LTD. (JP) 1981-12-29 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-10669289-B2 Boronic acid derivatives BCL9, BCL9L, BCL6 GSTO1 2482/4885PSMB5 105/4885ALDH1A1 1217/4885
US-20180179232-A1 BORONIC ACID DERIVATIVES BCL9, BCL9L, BCL6 GSTO1 2482/4885PSMB5 105/4885ALDH1A1 1217/4885

“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.