SCHEMBL98668

SCHEMBL98668

COc1ccc(CC2SC(=O)NC2=O)c2c1N(Cc1ccc(NS(C)(=O)=O)cc1)C(=O)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.45
▸ CA2 P00918 2/20 0.42
▸ ABCB1 P08183 1/20 0.37
▸ MAPT P10636 3/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PPARG P37231 3/20 0.33
▸ DRD3 P35462 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CCNT1 O60563 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
SCHEMBL94894 0.87 CA2 (0.47) PTPN1CA2MAPTALDH1A1NPSR1
SCHEMBL95628 0.86 MAPT (0.47) PTPN1CA2MAPTALDH1A1NPSR1
SCHEMBL95913 0.86 CA2 (0.46) PTPN1CA2MAPTALDH1A1NPSR1
SCHEMBL96109 0.86 CA2 (0.44) PTPN1CA2MAPTALDH1A1PPARG
SCHEMBL98093 0.85 CA2 (0.45) PTPN1CA2MAPTALDH1A1NPSR1
SCHEMBL95205 0.85 CA2 (0.45) PTPN1CA2ALDH1A1NPSR1PPARG
SCHEMBL13598447 0.84 CA2 (0.44) PTPN1CA2MAPTALDH1A1NPSR1
SCHEMBL13598458 0.83 CA2 (0.45) PTPN1CA2MAPTALDH1A1PPARG
SCHEMBL13598454 0.83 CA2 (0.39) PTPN1CA2MAPTALDH1A1HPGD
SCHEMBL13602443 0.83 CA2 (0.48) PTPN1CA2MAPTALDH1A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 — — US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 — — EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 — — EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 — — US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 — — US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 — — 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 (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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB PTPN1 1236/4885CA2 823/4885ABCB1 2853/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 PTPN1 1691/4885CA2 254/4885ABCB1 4698/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 PTPN1 1691/4885CA2 254/4885ABCB1 4698/4885

“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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