SCHEMBL3366913

SCHEMBL3366913

O=C(NC(Cc1ccc(Cl)c(Cl)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.53
▸ MDM4 O15151 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ PTPN1 P18031 3/20 0.47
▸ MDM2 Q00987 4/20 0.47
▸ CASP3 P42574 2/20 0.47
▸ SLC17A5 Q9NRA2 1/20 0.46

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
SCHEMBL119512 1.00 FPR2 (0.53) FPR2MDM4TP53PTPN1MDM2
SCHEMBL29402299 1.00 FPR2 (0.53) FPR2MDM4TP53PTPN1MDM2
SCHEMBL29907959 1.00 FPR2 (0.53) FPR2MDM4TP53PTPN1MDM2
SCHEMBL119309 1.00 FPR2 (0.53) FPR2MDM4TP53PTPN1MDM2
SCHEMBL31369603 0.92 MDM4 (0.52) MDM4TP53PTPN1MDM2CASP3
SCHEMBL27101546 0.92 CA2 (0.51) MDM4TP53PTPN1MDM2CASP3
SCHEMBL30898985 0.92 CA2 (0.51) MDM4TP53PTPN1MDM2CASP3
SCHEMBL2578833 0.92 CA2 (0.51) MDM4TP53PTPN1MDM2CASP3
SCHEMBL29400332 0.92 CA2 (0.51) MDM4TP53PTPN1MDM2CASP3
SCHEMBL16095683 0.91 MDM2 (0.51) FPR2MDM4TP53PTPN1MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 — — WO disclosed
CN-106117310-B Small molecule conjugates for intracellular delivery of biologically active compounds 弗·哈夫曼-拉罗切有限公司 2021-04-06 — — CN disclosed
EP-2970390-B1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2019-11-06 — — EP disclosed
US-9968647-B2 Small molecule conjugates for intracellular delivery of biologically active compounds HOFFMANN-LA ROCHE INC. (US) 2018-05-15 — — US disclosed
US-9879046-B2 Macrocyclic inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-30 — — US disclosed
US-20170369530-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2017-12-28 — — US disclosed
US-9850283-B2 Macrocyclic inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-26 — — US disclosed
EP-3147367-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS F. Hoffmann-La Roche AG (CH) 2017-03-29 — — EP disclosed
US-20170022505-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-01-26 — — US disclosed
US-20160340391-A1 Macrocyclic Inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 Protein/Protein Interactions BRISTOL MYERS SQUIBB CO (US) 2016-11-24 — — US disclosed
US-20140135380-A1 Small molecule conjugates for intracellular delivery of nucleic acids HOFFMANN-LA ROCHE INC. (US) 2014-05-15 — — US disclosed
EP-2658981-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2013-11-06 — — EP disclosed
EP-2658982-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-11-06 — — EP disclosed
US-8338565-B2 Macrocyclic compounds for inhibition of tumor necrosis factor alpha ENSEMBLE THERAPEUTICS CORPORATION (US) 2012-12-25 — — US disclosed
WO-2012089602-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-05 — — WO disclosed
WO-2012089352-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-05 — — WO disclosed
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE THERAPEUTICS CORPORATION 2010-06-17 — — US disclosed
EP-1335901-B1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES MERCK SERONO SA (CH) 2010-04-14 — — EP disclosed
US-7312358-B2 Pharmaceutically active sulfanilide derivatives LABORATOIRES SERONO SA (CH) 2007-12-25 — — US disclosed
US-20040072816-A1 Pharmaceutically active sulfanilide derivatives MERCK SERONO SA (CH) 2004-04-15 — — 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 (6 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-20140135380-A1 Small molecule conjugates for intracellular delivery of nucleic acids SNRPE, PHAX, SNRPA FPR2 3224/4885MDM4 1521/4885TP53 604/4885
US-20170369530-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS CD274, PDCD1, PDCD1LG2 FPR2 3267/4885MDM4 550/4885TP53 100/4885
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A FPR2 122/4885MDM4 1060/4885TP53 573/4885
US-20160340391-A1 Macrocyclic Inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 Protein/Protein Interactions CD274, PDCD1, PDCD1LG2 FPR2 3267/4885MDM4 550/4885TP53 100/4885
US-20170022505-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS SNRPE, PHAX, SNRPA FPR2 4010/4885MDM4 2075/4885TP53 541/4885
US-20040072816-A1 Pharmaceutically active sulfanilide derivatives OXTR, AVPR2, OPRL1 FPR2 100/4885MDM4 4848/4885TP53 4664/4885

“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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