SCHEMBL9949949

SCHEMBL9949949

COc1c(C(=O)c2cnn(C)c2O)ccc(C(F)(F)F)c1[S+](C)[O-]

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL9949885 0.86 AR (0.31) AR
SCHEMBL10082847 0.77
SCHEMBL9949591 0.76 TDP1 (0.39) KDM4E
SCHEMBL15255467 0.76
SCHEMBL12724676 0.72 AR (0.34) AR
SCHEMBL10053357 0.72 SMN1; SMN2 (0.33) MEN1LMNAKMT2A
SCHEMBL12724677 0.71 P2RX7 (0.40) HTR2AHTR2CAR
SCHEMBL19918780 0.71 P2RX7 (0.38) HTR2AHTR2CAR
SCHEMBL1231290 0.70 HPD (0.43)
SCHEMBL596967 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2658841-B1 PROCESS FOR PREPARING 3-ALKYLSULFINYLBENZOYL DERIVATIVES BAYER IP GMBH (DE) 2017-09-20 EP disclosed
EP-2658841-A1 PROCESS FOR PREPARING 3-ALKYLSULFINYLBENZOYL DERIVATIVES Bayer Intellectual Property GmbH (DE) 2013-11-06 EP disclosed
US-8455657-B2 Process for the preparation of 3-alkylsulfinylbenzoyl derivatives BAYER CROPSCIENCE AG (DE) 2013-06-04 US disclosed
WO-2012089644-A1 PROCESS FOR PREPARING 3-ALKYLSULFINYLBENZOYL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-07-05 WO disclosed
US-20120165540-A1 PROCESS FOR THE PREPARATION OF 3-ALKYLSULFINYLBENZOYL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-06-28 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-20120165540-A1 PROCESS FOR THE PREPARATION OF 3-ALKYLSULFINYLBENZOYL DERIVATIVES CBR3, CBR1, CYP1B1 HTR2A 2558/4885HTR2C 2639/4885KDM4E 1445/4885

“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.