SCHEMBL5172909

SCHEMBL5172909

CCOC(=O)C(O)(CC1=CCSc2ccccc21)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.40
MAPT P10636 4/20 0.35
TAAR1 Q96RJ0 2/20 0.35
PIN1 Q13526 1/20 0.34
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL5173306 0.78 POLB (0.47) POLBNPSR1ALDH1A1MAPTTAAR1
SCHEMBL4597752 0.73 POLB (0.42) POLBNPSR1ALDH1A1MAPTTAAR1
SCHEMBL12555524 0.73 POLB (0.65) POLBNPSR1ALDH1A1MAPTTAAR1
SCHEMBL5474501 0.72
SCHEMBL9296410 0.69 TSHR (0.46) NPSR1ALDH1A1MAPTMAPK1LMNA
SCHEMBL27701390 0.67 POLB (0.48) POLBNPSR1ALDH1A1MAPTTAAR1
SCHEMBL12855057 0.65 POLB (0.45) POLBNPSR1ALDH1A1MAPTLMNA
SCHEMBL5396329 0.64 POLB (0.60) POLBNPSR1ALDH1A1MAPTPIN1
SCHEMBL1445502 0.64 POLB (0.54) POLBNPSR1ALDH1A1MAPTMAPK1
SCHEMBL5287674 0.64 POLB (0.59) POLBNPSR1ALDH1A1MAPTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869013-A1 SUBSTITUTED CHROMAN DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF ANTIPHLOGISTICS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-26 EP disclosed
US-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 US disclosed
WO-2006108711-A1 SUBSTITUTED CHROMAN DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF ANTIPHLOGISTICS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-19 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 (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-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents TNF, CXCL8, MPO POLB 2738/4885NPSR1 283/4885ALDH1A1 1563/4885

“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.