SCHEMBL17447208

SCHEMBL17447208

Cc1cc(P(Cl)Cl)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.40
NOTUM Q6P988 1/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.33
MAPT P10636 1/20 0.32
IDH1 O75874 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
KIF11 P52732 1/20 0.32
CES2 O00748 1/20 0.31
NFE2L2 Q16236 1/20 0.31
XPO1 O14980 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
TXNRD1 Q16881 1/20 0.31

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
SCHEMBL2879502 0.86 CES2 (0.41) RAPGEF4MAPTRXRARXRBCES2
SCHEMBL16351489 0.85 RAPGEF4 (0.43) RAPGEF4NOTUMPGK1PGK2TAS2R14
SCHEMBL15338946 0.80 RAPGEF4 (0.46) RAPGEF4NOTUMPGK1PGK2TAS2R14
SCHEMBL26212657 0.80 RAPGEF4 (0.46) RAPGEF4NOTUMPGK1PGK2TAS2R14
SCHEMBL107119 0.78 RAPGEF4 (0.56) RAPGEF4NOTUMPGK1PGK2TAS2R14
SCHEMBL130017 0.78 RAPGEF4 (0.50) RAPGEF4NOTUMPGK1PGK2TAS2R14
SCHEMBL2885211 0.75 ALDH1A1 (0.42) RAPGEF4ALDH1A1CYP3A4TSHRTDP1
SCHEMBL17448589 0.75 CES2 (0.39) RAPGEF4MAPTRXRARXRBCES2
SCHEMBL902818 0.73 RAPGEF4 (0.58) RAPGEF4NOTUMPGK1PGK2TAS2R14
SCHEMBL497733 0.72 CES2 (0.41) RAPGEF4MAPTRXRARXRBCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 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-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DCXR, TECR, PWWP2B RAPGEF4 2254/4885NOTUM 229/4885PGK1 83/4885

“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.