SCHEMBL3901975

SCHEMBL3901975

CC(C)Cc1ccc(CO)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
KIF11 P52732 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
S1PR1 P21453 3/20 0.35
ALOX5AP P20292 1/20 0.35
EPHX2 P34913 1/20 0.35
PPARG P37231 1/20 0.35
PTGS1 P23219 4/20 0.35
PTGS2 P35354 4/20 0.35
LMNA P02545 2/20 0.35
CYP2C9 P11712 2/20 0.35
AKR1C3 P42330 2/20 0.35
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
ALB P02768 1/20 0.35

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
SCHEMBL3904394 0.88 PDE3B (0.42) GABRA1GABRB2KIF11PDE3BPDE3A
SCHEMBL24823198 0.86 GABRA1 (0.43) GABRA1GABRB2PDE3BPDE3AHTR2A
SCHEMBL10159768 0.81 GABRA1 (0.58) GABRA1GABRB2PDE3AHTR2AHTR2C
SCHEMBL14551466 0.80 GABRA1 (0.60) GABRA1GABRB2PDE3AHTR2AHTR2B
SCHEMBL5018902 0.79 AR (0.44) GABRA1GABRB2KIF11HTR2AHTR2C
SCHEMBL13400798 0.79 GABRA1 (0.42) GABRA1GABRB2HTR2AHTR2CHTR2B
SCHEMBL17897206 0.79 GABRA1 (0.50) GABRA1GABRB2PDE3AHTR2AHTR2B
SCHEMBL17748574 0.79 GABRA1 (0.37) GABRA1GABRB2PDE3BPDE3AHTR2A
SCHEMBL932834 0.78 PDE3B (0.42) GABRA1GABRB2PDE3BPDE3AHTR2A
SCHEMBL3899176 0.78 GABRA1 (0.46) GABRA1GABRB2KIF11PDE3BPDE3A

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 GABRA1 301/4885GABRB2 718/4885KIF11 3302/4885

“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.