SCHEMBL6289410

SCHEMBL6289410

COC(=O)CCc1ccc(C(=O)NC[C@H](N)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.42
NR1H4 Q96RI1 3/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ESRRG P62508 3/20 0.40
PRMT5 O14744 1/20 0.39
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
ESRRB O95718 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPRC P08575 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL27474422 1.00 EPHX2 (0.42) EPHX2NR1H4ADRB2ADRB1ESRRG
SCHEMBL6829407 0.89 NR1H4 (0.54) EPHX2NR1H4ESRRGRAB9AESRRB
Hydrochloric Acid SCHEMBL6829405 0.88 NR1H4 (0.53) EPHX2NR1H4ESRRGRAB9AESRRB
SCHEMBL6221022 0.84 EPHX2 (0.43) EPHX2NR1H4ADRB2ADRB1
SCHEMBL9430861 0.83 EPHX2 (0.39) EPHX2NR1H4ESRRGRAB9AKMT2A
SCHEMBL4495372 0.81 EPHX2 (0.48) EPHX2NR1H4ADRB2ADRB1ESRRG
SCHEMBL5664578 0.81 EPHX2 (0.46) EPHX2NR1H4MAPTKMT2AMEN1
SCHEMBL5663152 0.80 MLYCD (0.40) MAPTKMT2AMEN1PTPRCALDH1A1
SCHEMBL6016224 0.80 HPGD (0.44) RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6016221 0.79 HPGD (0.43) RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838453-B2 Antagonist derivatives of the vitronectin receptor AVENTIS PHARMA S.A. (FR) 2005-01-04 US disclosed
CN-1177832-C Novel sulfonamide derivatives as inhibitors of bone resorption and as inhibitors of cell adhesion ���ĵ�˹ҩƷ�¹��ɷ����޹�˾ 2004-12-01 CN disclosed
US-20040225111-A1 ANTAGONIST DERIVATIVES OF THE VITRONECTIN RECEPTOR AVENTIS PHARMA S.A. (FR) 2004-11-11 US disclosed
US-6747148-B2 FOR THERPY AND PROPHYLAXIS OF OSTEOPOROSIS, HYPERCALCEMIA, OR OSTEOPENIA, INFLAMMATION, CARDIOVASCULAR DISORDERS, RESTENOSIS, ARTERIOSCLEROSIS, NEPHROPATHIES OR RETINOPATHIES HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2004-06-08 US disclosed
US-20020065271-A1 Novel sulfonamide derivatives as inhibitors of bone resorption and as inhibitors of cell adhesion PEYMAN ANUSCHIRWAN (DE) 2002-05-30 US disclosed
US-6313119-B1 VITRONECTIN RECEPTOR ANTAGONISTS ADVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-11-06 US disclosed
CN-1293662-A Novel sulfonamide derivatives as inhibitors of bone resorption and as inhibitors of cell adhesion AIWENTIS DRUG DEUTSCHLAND GMBH (DE) 2001-05-02 CN disclosed
EP-1049677-A1 NOVEL SULFONAMIDE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS INHIBITORS OF CELL ADHESION Aventis Pharma Deutschland GmbH (DE) 2000-11-08 EP disclosed
WO-1999037621-A1 NOVEL SULFONAMIDE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-29 WO 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-20040225111-A1 ANTAGONIST DERIVATIVES OF THE VITRONECTIN RECEPTOR ADGRF1, BDKRB1, ADGRE5 EPHX2 728/4885NR1H4 1126/4885ADRB2 71/4885
US-20020065271-A1 Novel sulfonamide derivatives as inhibitors of bone resorption and as inhibitors of cell adhesion SOST, SELPLG, BST2 EPHX2 2032/4885NR1H4 1240/4885ADRB2 2060/4885

“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.