SCHEMBL15835002

SCHEMBL15835002

O=COCc1cc(Br)ccc1OC=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.37
FFAR4 Q5NUL3 1/20 0.35
CCR5 P51681 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 2/20 0.34
USP28 Q96RU2 2/20 0.34
SRC P12931 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL12766079 0.85 KDM4E (0.49) FFAR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12133277 0.77 FFAR4 (0.45) PTGDR2FFAR4CCR5ALDH1A1KDM4E
SCHEMBL12042456 0.77 PTGDR2 (0.49) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6602043 0.77 ALDH1A1 (0.38) PTGDR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2097283 0.74 NAAA (0.43) CCR5MEN1KMT2A
SCHEMBL18348140 0.74 PYCR1 (0.40) KDM4EMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL10467231 0.74 MAPK1 (0.58) PTGDR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5722806 0.71 KMT2A (0.43) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2091964 0.71 DGAT1 (0.40) PTGDR2ALDH1A1KDM4EMAPK1TDP1
SCHEMBL12040430 0.71 PTGDR2 (0.40) PTGDR2ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed
US-9260452-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-02-16 US disclosed
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-06-26 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 (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-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 PTGDR2 535/4885FFAR4 98/4885CCR5 964/4885
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 PTGDR2 500/4885FFAR4 94/4885CCR5 1162/4885

“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.