SCHEMBL7925290

SCHEMBL7925290

COC(=O)c1ccc(NC(=O)C(C)N)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 4/20 0.54
IDO1 P14902 2/20 0.51
LNPEP Q9UIQ6 9/20 0.51
ERAP2 Q6P179 6/20 0.51
LMNA P02545 3/20 0.49
KMT2A Q03164 2/20 0.47
GAA P10253 3/20 0.46
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45

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
Hydrochloric Acid SCHEMBL1391619 0.99 XDH (0.53) XDHCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL1391618 0.99 XDH (0.53) XDHCA12CA1CA2CA7
SCHEMBL7926073 0.88 KDM4E (0.57) XDHCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL1391474 0.87 KDM4E (0.56) XDHCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL1391475 0.87 KDM4E (0.56) XDHCA12CA1CA2CA7
SCHEMBL12433326 0.85 IDO1 (0.54) KDM4EIDO1LNPEPERAP2KMT2A
SCHEMBL15898542 0.82 KDM4E (0.78) KDM4EALDH1A1LNPEPERAP2LMNA
SCHEMBL1390514 0.82 KDM4E (0.50) XDHCA12CA1CA2CA7
SCHEMBL1390513 0.82 KDM4E (0.50) XDHCA12CA1CA2CA7
SCHEMBL16709745 0.81 KDM4E (0.56) KDM4EALDH1A1LNPEPERAP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 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 (1 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB XDH 3650/4885CA12 3758/4885CA1 3637/4885

“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.