SCHEMBL98093

SCHEMBL98093

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.45
▸ PTPN1 P18031 5/20 0.41
▸ CXCR3 P49682 1/20 0.38
▸ PPARG P37231 4/20 0.37
▸ MPC2 O95563 1/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ACP1 P24666 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL96109 0.92 CA2 (0.44) CA2PTPN1PPARGMPC2CYP2C8
SCHEMBL94894 0.90 CA2 (0.47) CA2PTPN1PPARGALDH1A1MAPT
SCHEMBL95205 0.90 CA2 (0.45) CA2PTPN1PPARGALDH1A1NPSR1
SCHEMBL95628 0.89 MAPT (0.47) CA2PTPN1PPARGMPC2CYP2C8
SCHEMBL95913 0.89 CA2 (0.46) CA2PTPN1CXCR3PPARGMPC2
SCHEMBL96184 0.88 CA2 (0.41) CA2PTPN1ALDH1A1MAPTMEN1
SCHEMBL13598447 0.87 CA2 (0.44) CA2PTPN1PPARGMPC2CYP2C8
SCHEMBL132379 0.86 ALDH1A1 (0.45) CA2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL13602443 0.86 CA2 (0.48) CA2PTPN1PPARGMPC2CYP2C8
SCHEMBL98464 0.86 CA2 (0.43) CA2PTPN1PPARGALDH1A1MAPT

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 8 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-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 — — US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 — — EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 — — 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-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CA2 254/4885PTPN1 1691/4885CXCR3 828/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CA2 254/4885PTPN1 1691/4885CXCR3 828/4885

“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.

Send feedback