SCHEMBL1056811

SCHEMBL1056811

O=C(O)C1CC(c2ccc(OC(F)F)cc2)CN(C(=O)N2CC[S+]([O-])CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
HTT P42858 1/20 0.35
F2R P25116 11/20 0.35
CNR1 P21554 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
MDM2 Q00987 1/20 0.32
LMNA P02545 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL1054689 0.90 F2R (0.37) ALDH1A1HTTF2RCNR1TMEM97
SCHEMBL10278941 0.86 ALDH1A1 (0.38) ALDH1A1HTTF2RKMT2ATSHR
SCHEMBL1055592 0.84 F2R (0.47) ALDH1A1HTTF2RCNR1TMEM97
SCHEMBL1055593 0.84 F2R (0.40) ALDH1A1HTTF2RCNR1TMEM97
SCHEMBL10278734 0.83 F2R (0.43) ALDH1A1HTTF2RCNR1TMEM97
SCHEMBL3800964 0.82 F2R (0.41) ALDH1A1HTTF2RCNR1TMEM97
SCHEMBL3764088 0.78 F2R (0.60) F2RCNR1TMEM97KMT2A
SCHEMBL1054200 0.76 F2R (0.46) ALDH1A1HTTF2RCNR1TMEM97
SCHEMBL10278542 0.75 LMNA (0.39) ALDH1A1HTTF2RKMT2ATSHR
SCHEMBL1056320 0.75 F2R (0.46) ALDH1A1HTTF2RCNR1TMEM97

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252948-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-26 US disclosed
US-8440657-B2 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 US disclosed
US-8440657-B2 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 US disclosed
US-8440657-B2 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 US disclosed
US-20120220563-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-30 US disclosed
US-20120220563-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-30 US disclosed
US-20120220563-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-30 US disclosed
CN-102596944-A Substituted piperidines BAYER SCHERING PHARMA AG 2012-07-18 CN disclosed
US-8202862-B2 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-19 US disclosed
US-8202862-B2 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-19 US disclosed
US-8084469-B2 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084469-B2 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
WO-2010136138-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
WO-2010136144-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
US-20100305111-A1 SUBSTITUTED PIPERIDINES Bayer Schering Pharma (DE) 2010-12-02 US disclosed
US-20100305111-A1 SUBSTITUTED PIPERIDINES Bayer Schering Pharma (DE) 2010-12-02 US disclosed
US-20100305111-A1 SUBSTITUTED PIPERIDINES Bayer Schering Pharma (DE) 2010-12-02 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 (4 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-20110021489-A1 SUBSTITUTED PIPERIDINES VHL, PIR, PIGO ALDH1A1 265/4885HTT 1435/4885F2R 1339/4885
US-20100305111-A1 SUBSTITUTED PIPERIDINES VHL, PIR, PTGIS ALDH1A1 275/4885HTT 1162/4885F2R 1245/4885
US-20120220563-A1 Substituted piperidines VHL, PIR, PIGO ALDH1A1 265/4885HTT 1435/4885F2R 1339/4885
US-20130252948-A1 Substituted piperidines VHL, PIR, PTGIS ALDH1A1 275/4885HTT 1162/4885F2R 1245/4885

“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.