SCHEMBL2746519

SCHEMBL2746519

COC(=O)c1ccc(N)c2cc(O)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.57
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
CA7 P43166 4/20 0.57
CA9 Q16790 4/20 0.57
CA14 Q9ULX7 4/20 0.57
PDK2 Q15119 1/20 0.57
PDK4 Q16654 1/20 0.57
KDM4E B2RXH2 6/20 0.50
GAA P10253 5/20 0.50
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 3/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
GLA P06280 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
ABL1 P00519 1/20 0.49
TSHR P16473 2/20 0.47

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
SCHEMBL2747186 0.82 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL268601 0.81 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL4826905 0.81 ALDH1A1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL2747430 0.81 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL4685498 0.80 ALDH1A1 (0.61) CA1CA2CA9KDM4EGAA
SCHEMBL31758437 0.80 ALDH1A1 (0.61) CA1CA2CA9KDM4EGAA
Hydrochloric Acid SCHEMBL27808204 0.78 ALDH1A1 (0.59) KDM4EGAAALDH1A1HSD17B10MAPT
SCHEMBL10341612 0.75 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL158999 0.75 CA12 (0.74) CA12CA1CA2CA7CA9
SCHEMBL130494 0.73 CA12 (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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 US disclosed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 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-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET CA12 1168/4885CA1 2581/4885CA2 2785/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET CA12 1168/4885CA1 2581/4885CA2 2785/4885

“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.