SCHEMBL461572

SCHEMBL461572

NC(=O)CC[C@H](NCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
MMP2 P08253 4/20 0.52
MMP9 P14780 4/20 0.52
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.47
MEP1B Q16820 2/20 0.46
FOLH1 Q04609 1/20 0.46
TLR2 O60603 1/20 0.45
GGT1 P19440 3/20 0.45
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP14 P50281 1/20 0.44
PRMT1 Q99873 1/20 0.43

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
SCHEMBL461571 1.00 KMT2A (0.54) KMT2AMMP2MMP9ALDH1A1RAB9A
SCHEMBL27520105 0.89 TLR2 (0.46) KMT2AMMP2MMP9ALDH1A1RAB9A
SCHEMBL14394199 0.88 KMT2A (0.45) KMT2AMMP2MMP9ALDH1A1RAB9A
SCHEMBL2251543 0.87 FFAR1 (0.46) KMT2AMMP2MMP9
SCHEMBL1818651 0.87 NAALAD2 (0.60) MMP9NAALAD2MEP1BFOLH1MMP8
SCHEMBL3387298 0.87 NAALAD2 (0.60) MMP9NAALAD2MEP1BFOLH1MMP8
SCHEMBL869873 0.87 NAALAD2 (0.60) MMP9NAALAD2MEP1BFOLH1MMP8
SCHEMBL2250167 0.86 L3MBTL1 (0.51) KMT2AMMP2MMP9ALDH1A1CA2
SCHEMBL2252839 0.86 FOLH1 (0.49) KMT2AMMP2MMP9FOLH1CA2
SCHEMBL2247510 0.86 FOLH1 (0.49) KMT2AMMP2MMP9ALDH1A1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089417-A2 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS Health (International) Limited (CH) 2009-08-19 EP claimed
WO-2009019534-A2 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (US) 2009-02-12 WO claimed
EP-0552417-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-07 EP claimed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP claimed
JP-59080644-A None JP disclosed
US-20220089639-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS NOVARTIS AG (CH) 2022-03-24 US disclosed
WO-2018067789-A1 HYDROGEL DISPLAY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-12 WO disclosed
CN-103787927-B Deliver method, compound, compositionss and the carrier of 3 amino 1 propane sulfonic acid BHI有限合资公司 2017-03-01 CN disclosed
US-8481558-B2 Compounds to inhibit or augment an inflammatory response CAMBRIDGE ENTERPRISE LIMITED (GB) 2013-07-09 US disclosed
US-20120065401-A1 METHODS TO INHIBIT OR AUGMENT AN INFLAMMATORY RESPONSE CAMBRIDGE ENTERPRISE LIMITED (GB) 2012-03-15 US disclosed
EP-2386565-A2 Compounds and methods to inhibit or augment an inflammatory response Cambridge Enterprise Ltd. (GB) 2011-11-16 EP disclosed
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
US-20020058622-A1 Sustained-release preparation IGARI YASUTAKA (JP) 2002-05-16 US disclosed
US-6376461-B1 WATER INSOLUBLE OR SLIGHTLY WATER SOLUBLE POLYVALENT METAL SALT OF A GROWTH HORMONE, AND A BIODEGRADABLE POLYMER; ENDOTHELIN ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 US disclosed
US-6251861-B1 CYCLO(D-ASP-ASP(R1)-ASP-D-THG(2)-LEU-TRP) DISODIUM SALT, WHERE ASP(R1) IS AN ASPARTIC ACID BETA-4-PHENYLPIPERAZINE AMIDE RESIDUE AND THG(2) IS 2-(2-THIENYL)GLYCINE; ANTI-ENDOTHELIN ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
EP-0994144-A2 Polypeptid-polysiloxane copolymers Th. Goldschmidt AG (DE) 2000-04-19 EP disclosed
EP-0552417-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-07 EP disclosed
EP-0815870-A2 Composition for prohylaxis or treatment of cerebral infarction Takeda Chemical Industries, Ltd. (JP) 1998-01-07 EP disclosed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP disclosed
JP-S5980644-A NOVEL ACYLGLUTAMINE DERIVATIVE FUJISAWA PHARMACEUT CO LTD 1984-05-10 JP 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-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 KMT2A 2035/4885MMP2 401/4885MMP9 561/4885
US-20220089639-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS PTMS, TGM3, TGM1 KMT2A 198/4885MMP2 1517/4885MMP9 3272/4885
US-20120065401-A1 METHODS TO INHIBIT OR AUGMENT AN INFLAMMATORY RESPONSE CCL2, CCL5, CCL11 KMT2A 4863/4885MMP2 177/4885MMP9 182/4885

“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.