SCHEMBL275650

SCHEMBL275650

COC(=O)c1ccc(Oc2ccc(Br)cc2C=O)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
ESRRA P11474 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CCR5 P51681 2/20 0.42
ERN1 O75460 3/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
TTR P02766 1/20 0.40
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
PAX8 Q06710 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL276952 0.86 MAPT (0.52) ESRRAPTGDR2MAPTMEN1KMT2A
SCHEMBL12437199 0.85 CYP3A4 (0.45) CYP3A4ESRRAMAPTMEN1KMT2A
SCHEMBL276104 0.83 PTGDR2 (0.48) PTGDR2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL279092 0.79 CCR5 (0.41) CYP3A4ESRRAMAPTMEN1KMT2A
SCHEMBL3647722 0.76 ALDH1A1 (0.53) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL30129776 0.76 ALDH1A1 (0.53) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3510198 0.74 ALDH1A1 (0.45) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL310021 0.73 ERN1 (0.58) CYP3A4MAPTMEN1KMT2AERN1
SCHEMBL31084750 0.73 ERN1 (0.58) CYP3A4MAPTMEN1KMT2AERN1
SCHEMBL4715538 0.73 ALDH1A1 (0.55) CYP3A4MAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
EP-2229396-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
EP-2229396-A1 SPIROINDOLINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-22 EP disclosed
WO-2009077357-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
WO-2009077357-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 US disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 US disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 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-20090156610-A1 Spiroindolinone Derivatives SDHA, AR, XPOT CYP3A4 185/4885ESRRA 142/4885PTGDR2 996/4885

“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.