SCHEMBL279218

SCHEMBL279218

C=C(/N=C/c1cc(Br)ccc1OC(C)(C)C(=O)OCC)O[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 0.42
TSHR P16473 3/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
ABCB11 O95342 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
PPARA Q07869 1/20 0.36
POLB P06746 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL278939 0.79 LMNA (0.41) TSHRHPGDALDH1A1CYP1A2CYP3A4
SCHEMBL275504 0.78 FBP1 (0.52) FBP1TSHRHPGDALDH1A1CYP1A2
SCHEMBL275218 0.77 HPGD (0.41) TSHRHPGDALDH1A1CYP1A2CYP3A4
SCHEMBL13929294 0.75 HPGD (0.44) TSHRHPGDALDH1A1CYP1A2CYP3A4
SCHEMBL13929150 0.74 HPGD (0.46) TSHRHPGDALDH1A1CYP1A2CYP3A4
SCHEMBL9701146 0.73 FBP1 (0.57) FBP1TSHRHPGDALDH1A1CYP1A2
SCHEMBL279202 0.72 HPGD (0.36) TSHRHPGDALDH1A1CYP1A2CYP3A4
SCHEMBL278990 0.72 LMNA (0.39) TSHRHPGDALDH1A1CYP1A2CYP3A4
SCHEMBL279190 0.71 CCR5 (0.43) TSHRHPGDALDH1A1CYP1A2L3MBTL1
SCHEMBL20562083 0.71 TSHR (0.47) FBP1TSHRHPGDALDH1A1CYP1A2

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 FBP1 3783/4885TSHR 1261/4885HPGD 482/4885
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS FBP1 4238/4885TSHR 744/4885HPGD 1805/4885

“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.