SCHEMBL3898701

SCHEMBL3898701

CCCc1ccc(CCl)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.36
IDO1 P14902 4/20 0.36
AR P10275 2/20 0.35
PYCR1 P32322 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
PTPN1 P18031 1/20 0.33
DAO P14920 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
NR1H2 P55055 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
SCHEMBL12107918 0.87 CNR1 (0.41) S1PR1IDO1ARPTPN1DAO
SCHEMBL12114208 0.86 S1PR1 (0.37) S1PR1IDO1ARPTPN1DAO
SCHEMBL3902001 0.86 IDO1 (0.38) IDO1ARPYCR1DAORXRA
SCHEMBL23865166 0.83 LOXL2 (0.39) S1PR1IDO1ARPTPN1NR1H2
SCHEMBL3908063 0.83 KIF11 (0.42) S1PR1IDO1ARRXRARXRB
SCHEMBL18682191 0.79 POLQ (0.47) IDO1ARSLC6A4CTSSCTSK
SCHEMBL932834 0.78 PDE3B (0.42) S1PR1IDO1PYCR1SLC6A2SLC6A4
SCHEMBL14381880 0.77 AR (0.37) S1PR1IDO1ARDAOSLC6A2
SCHEMBL13349970 0.77 DAO (0.51) IDO1ARDAOCTSSCTSK
SCHEMBL17071866 0.77 IDO1 (0.56) IDO1ARSLC6A2SLC6A4

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
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 S1PR1 3/4885IDO1 311/4885AR 611/4885

“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.