Sugi Predict

Sugi Predict / Compounds / SCHEMBL5360302

SCHEMBL5360302

SCHEMBL5360302

COc1cc(S(C)(=O)=O)nc(S(C)(=O)=O)n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.78
▸ SMN1; SMN2 Q16637 4/20 0.78
▸ HPGD P15428 4/20 0.37
▸ NPSR1 Q6W5P4 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ TP53 P04637 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HTT P42858 3/20 0.35
▸ STAT3 P40763 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MITF O75030 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ITGB1 P05556 1/20 0.32
▸ ITGA4 P13612 1/20 0.32
▸ PTGS2 P35354 1/20 0.32

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
SCHEMBL1067726 0.88 SMN1; SMN2 (1.00) LMNASMN1; SMN2HPGDNPSR1KDM4E
SCHEMBL9626200 0.81 LMNA (0.52) LMNASMN1; SMN2HPGDNPSR1KDM4E
SCHEMBL6561352 0.81 SMN1; SMN2 (0.78) LMNASMN1; SMN2HPGDNPSR1KDM4E
SCHEMBL28026807 0.81 LMNA (0.55) LMNASMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL8666206 0.81 SMN1; SMN2 (0.78) LMNASMN1; SMN2HPGDNPSR1KDM4E
SCHEMBL6806147 0.79 LMNA (0.53) LMNASMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL6806477 0.79 LMNA (0.75) LMNASMN1; SMN2HPGDNPSR1KDM4E
SCHEMBL9626161 0.78 LMNA (0.47) LMNASMN1; SMN2NPSR1ALDH1A1TP53
SCHEMBL3691082 0.77 LMNA (0.55) LMNASMN1; SMN2HPGDNPSR1KDM4E
SCHEMBL8658127 0.77 SMN1; SMN2 (0.55) LMNASMN1; SMN2HPGDNPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4108776-A — — None — — JP disclosed
US-7291645-B2 Phenylalanine derivatives as alpha 4 integrin inhibitors ELAN PHARMACEUTICALS, INC. (US) 2007-11-06 — — US disclosed
US-7015216-B2 Heteroaryl-β-alanine derivatives as alpha 4 integrin inhibitors ELAN PHARMACEUTICALS, INC. (US) 2006-03-21 — — US disclosed
US-20040127486-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ELAN PHARMACEUTICALS, INC. 2004-07-01 — — US disclosed
US-6693194-B2 BY REACTING 4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE IN AN INERT ORGANIC SOLVENT WITH AN ALKALI METAL METHOXIDE, TRANSFERRING TO AN AQUEOUS ACID MEDIUM AND OXIDATION; USING THE PRODUCT TO PREPARE 7-((4,6- SYNGENTA CROP PROTECTION, INC. 2004-02-17 — — US disclosed
US-6689781-B2 TREATING AN INFLAMMATORY CONDITION IN A MAMMALIAN PATIENT WHICH CONDITION IS MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2004-02-10 — — US disclosed
US-6677339-B2 S-3-(4-(3,5-DICHLOROPYRID-4-YLCARBOXAMIDO)PHENYL)-2-(4,6-DIMET HOXY-1,3,5-TRIAZIN-2-YLAMINO)PROPANOIC ACID FOR EXAMPLE; INHIBIT BINDING OF ALPHA 4 INTEGRINS TO THEIR LIGANDS, FOR TREATING IMMUNE OR INFLAMMATORY DISORDERS CELLTECH R & D LIMITED (GB) 2004-01-13 — — US disclosed
US-20030135047-A1 Process for the preparation of 4,6-dimethoxy-2-(methylsulfonyl)-1,3-pyrimidine SYNGENTA CORP PROTECTION, INC. 2003-07-17 — — US disclosed
US-20020086882-A1 Heteroaryl-beta-alanine derivatives as alpha 4 integrin inhibitors BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-07-04 — — US disclosed
US-20020055509-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-05-09 — — US disclosed
US-20020028812-A1 Phenylalanine derivatives CELLTECH CHIROSCIENCE LIMITED (GB) 2002-03-07 — — US disclosed
US-6348463-B1 Phenylalanine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2002-02-19 — — US disclosed
WO-2002008222-A2 HETEROARYL-β-ALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 — — WO disclosed
WO-2002008206-A1 3-AMINO-2-(4-AMINOCARBONYLOXY)PHENYL-PROPIONIC ACID DERIVATIVES AS ALPHA-4- INTEGRIN INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 — — WO disclosed
EP-1117657-A1 PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2001-07-25 — — EP disclosed
WO-2000018759-A1 PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-06 — — WO disclosed
JP-H04108776-A PURIFICATION OF 4,6-DIMETHOXY-2-METHANESULFONYLPYRIMIDINE IHARA CHEM IND CO LTD 1992-04-09 — — 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 (5 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-20020055509-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ITGB4, ITGA4, ITGB3 LMNA 2515/4885SMN1; SMN2 3112/4885HPGD 2777/4885
US-20020086882-A1 Heteroaryl-beta-alanine derivatives as alpha 4 integrin inhibitors ITGAL, ITGB4, ITGA4 LMNA 1126/4885SMN1; SMN2 2616/4885HPGD 2274/4885
US-20020028812-A1 Phenylalanine derivatives PAH, FPR1, VCAM1 LMNA 2207/4885SMN1; SMN2 3105/4885HPGD 1022/4885
US-20040127486-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ITGB4, ITGA4, ITGB3 LMNA 2515/4885SMN1; SMN2 3112/4885HPGD 2777/4885
US-20030135047-A1 Process for the preparation of 4,6-dimethoxy-2-(methylsulfonyl)-1,3-pyrimidine TPMT, DHODH, DPYD LMNA 4325/4885SMN1; SMN2 897/4885HPGD 2809/4885

“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.