SCHEMBL4219396

SCHEMBL4219396

O=Cc1cc(Br)ccc1OCC(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.59
ERN1 O75460 1/20 0.43
TSHR P16473 2/20 0.41
KDM4E B2RXH2 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
PTPN1 P18031 4/20 0.41
PTPN2 P17706 1/20 0.41
PTPN6 P29350 1/20 0.41
PPARG P37231 1/20 0.41
HPGD P15428 5/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL17376673 0.87 APP (0.44) PTGDR2ERN1KDM4EL3MBTL1POLB
SCHEMBL28615535 0.82 ALDH1A1 (0.48) PTGDR2KDM4EL3MBTL1HPGDALDH1A1
SCHEMBL4219060 0.81 ALDH1A1 (0.44) PTGDR2ERN1TSHRKDM4EL3MBTL1
SCHEMBL5699854 0.80 PTPN1 (0.64) PTGDR2PTPN1PTPN2PTPN6PPARG
SCHEMBL30679655 0.80 PTPN1 (0.64) PTGDR2PTPN1PTPN2PTPN6PPARG
SCHEMBL8522538 0.79 ALDH1A1 (0.47) PTGDR2KDM4EL3MBTL1POLBTDP1
SCHEMBL21558276 0.79 PTGDR2 (0.60) PTGDR2ERN1TSHRKDM4EL3MBTL1
SCHEMBL155442 0.78 HPGD (0.64) PTGDR2ERN1TSHRKDM4EL3MBTL1
SCHEMBL2066597 0.78 PTGDR2 (0.64) PTGDR2ERN1TSHRL3MBTL1POLB
SCHEMBL30679647 0.78 PTGDR2 (0.64) PTGDR2ERN1TSHRL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
EP-1910292-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP 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
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
WO-2007015588-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-08 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 PTGDR2 41/4885ERN1 4124/4885TSHR 496/4885
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS PTGDR2 983/4885ERN1 974/4885TSHR 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.