SCHEMBL3580577

SCHEMBL3580577

CCOC(=O)Cc1c(C)c(Cc2ccc(S(C)(=O)=O)cc2)n2cc(C#N)ccc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
USP14 P54578 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
SCHEMBL3962109 0.89 PTGDR2 (0.39) ALDH1A1KDM4ELMNATSHRHSD17B10
SCHEMBL3568659 0.88 PTGDR2 (0.43) PTGDR2
SCHEMBL3972653 0.82 PTGDR2 (0.42) ALDH1A1MAPTPTGDR2USP14
SCHEMBL2769893 0.82 PTGDR2 (0.44) ALDH1A1KDM4ELMNATSHRHSD17B10
SCHEMBL3968252 0.81 PTGDR2 (0.38) ALDH1A1MAPTPTGDR2USP14
SCHEMBL3969315 0.81 P2RX3 (0.36) ALDH1A1KDM4EMAPTTDP1PTGDR2
SCHEMBL3968885 0.81 PPME1 (0.37) ALDH1A1MAPTTDP1PTGDR2
SCHEMBL3965620 0.79 PTGDR2 (0.54) PTGDR2
SCHEMBL4636239 0.79 PTGDR2 (0.35) ALDH1A1MAPTTDP1PTGDR2USP14
SCHEMBL4635980 0.79 L3MBTL1 (0.40) ALDH1A1KDM4ELMNATSHRHSD17B10

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
US-20100010034-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2010-01-14 US disclosed
EP-2094266-A1 CRTH2 ANTAGONISTS Argenta Discovery Limited (GB) 2009-09-02 EP disclosed
WO-2008074966-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2008-06-26 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-20100010034-A1 CRTH2 ANTAGONISTS HRH2, MDH2, HRH1 ALDH1A1 831/4885MAPK8 1974/4885MAPK9 1431/4885

“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.