SCHEMBL438452

SCHEMBL438452

COC(=O)c1ccc(Br)c(Br)c1CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA12 O43570 2/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 6/20 0.38
GAA P10253 4/20 0.38
HSD17B10 Q99714 4/20 0.38
GLA P06280 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
ATM Q13315 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL20496861 0.85 CA1 (0.39) CA1CA2CA9CA12CA7
SCHEMBL30993252 0.83 ABL1 (0.38) CA1CA2CA9CA12CA7
SCHEMBL30798670 0.83 KDM4E (0.41) CA1CA2CA9CA12CA7
SCHEMBL18786802 0.83 ABL1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL24718207 0.83 KDM4E (0.41) CA1CA2CA9CA12CA7
SCHEMBL24717647 0.83 SOS1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL19612048 0.83 ABL1 (0.38) CA1CA2CA9CA12CA7
SCHEMBL31072738 0.83 SOS1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL30993736 0.83 ABL1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL28097413 0.81 PTGER4 (0.40) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716326-B2 Isoindolinone derivatives, preparation method thereof and a pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-05-06 US disclosed
US-8716326-B2 Isoindolinone derivatives, preparation method thereof and a pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-05-06 US disclosed
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-15 US disclosed
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-15 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 (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-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME PPIP5K2, SOST, ALPL CA1 2826/4885CA2 2909/4885CA9 1827/4885

“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.