SCHEMBL97240

SCHEMBL97240

[CH2]c1ccc(C(=O)N2CCC(O)(c3ccccc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.67
CA1 P00915 4/20 0.67
CA2 P00918 4/20 0.67
CA7 P43166 4/20 0.67
CA9 Q16790 4/20 0.67
CA14 Q9ULX7 4/20 0.67
ALDH1A1 P00352 2/20 0.61
LMNA P02545 1/20 0.61
PARP10 Q53GL7 1/20 0.54
PKLR P30613 4/20 0.49
FASN P49327 3/20 0.49
POLB P06746 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL8154103 0.87 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL3643162 0.83 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL27302984 0.80 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL20820398 0.79 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL8155110 0.78 SLC6A7 (0.62) CA12CA1CA2CA7CA9
SCHEMBL8154098 0.78 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL8164463 0.78 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL6047288 0.77 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL795975 0.77 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL13431511 0.77 HSD11B1 (0.61) CA12CA1CA2CA7CA9

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 12 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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO 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 (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 CA12 3743/4885CA1 3276/4885CA2 823/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CA12 1180/4885CA1 2592/4885CA2 254/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CA12 1180/4885CA1 2592/4885CA2 254/4885

“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.