SCHEMBL278939

SCHEMBL278939

C=C(/N=C/c1cc(Br)ccc1OCC(C)(C)C(=O)OC)O[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 5/20 0.40
ALDH1A1 P00352 3/20 0.40
CCR5 P51681 2/20 0.39
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 5/20 0.37
KDM4E B2RXH2 4/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL13929294 0.84 HPGD (0.44) LMNAUSP2TSHRL3MBTL1POLB
SCHEMBL13929150 0.79 HPGD (0.46) LMNAUSP2TSHRL3MBTL1POLB
SCHEMBL279218 0.79 FBP1 (0.42) LMNATSHRL3MBTL1POLBCTDSP1
SCHEMBL275218 0.78 HPGD (0.41) LMNATSHRL3MBTL1POLBCTDSP1
SCHEMBL275755 0.78 PTGDR2 (0.58) LMNAUSP2TSHRL3MBTL1POLB
SCHEMBL278988 0.76 CCR5 (0.45) LMNAL3MBTL1POLBHPGDALDH1A1
SCHEMBL279062 0.75 CCR5 (0.59) LMNAUSP2POLBALDH1A1CCR5
SCHEMBL278944 0.74 HPGD (0.41) LMNAUSP2TSHRL3MBTL1POLB
SCHEMBL279190 0.74 CCR5 (0.43) LMNATSHRL3MBTL1HPGDALDH1A1
SCHEMBL279086 0.74 MAPT (0.49) LMNAALDH1A1CCR5KMT2ANPC1

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-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 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 (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-20090156610-A1 Spiroindolinone Derivatives SDHA, AR, XPOT LMNA 549/4885USP2 4831/4885TSHR 1261/4885
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS LMNA 2147/4885USP2 4562/4885TSHR 744/4885

“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.