SCHEMBL3573687

SCHEMBL3573687

COc1ccc(Sc2c(C)c(CC(=O)O)c3cc(Cl)c(F)cn23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.44
LMNA P02545 4/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2C9 P11712 4/20 0.40
PMP22 Q01453 3/20 0.40
TSHR P16473 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 2/20 0.40
BLM P54132 1/20 0.40
PTGDR Q13258 1/20 0.39
MAPT P10636 3/20 0.38
HIF1A Q16665 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
AKR1B1 P15121 2/20 0.38
NFKB1 P19838 2/20 0.38
RGS12 O14924 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3564308 0.89 PTGS2 (0.40) PTGDR2KDM4EMAPTHIF1AALDH1A1
SCHEMBL3569757 0.85 PTGDR2 (0.59) PTGDR2CYP2C9PTGDRAKR1B1
SCHEMBL3570130 0.83 PTGDR2 (0.56) PTGDR2LMNACYP1A2CYP2C9PMP22
SCHEMBL3568010 0.76 PTGDR2 (0.47) PTGDR2ALDH1A1PTGS2PTGS1
SCHEMBL2769625 0.76 PTGDR2 (0.68) PTGDR2PTGDRTBXA2R
SCHEMBL2772669 0.73 PTGDR2 (0.52) PTGDR2CYP2C9AKR1B1PTGS2
SCHEMBL3569716 0.73 PTGDR2 (0.45) PTGDR2LMNACYP1A2CYP2C9PMP22
SCHEMBL3567663 0.70 PTGDR2 (0.58) PTGDR2PTGDRAKR1B1AKR1C2AKR1C3
SCHEMBL2771193 0.70 PTGDR2 (0.62) PTGDR2PTGDRAKR1B1AKR1C2AKR1C3
SCHEMBL2769384 0.69 PTGS2 (0.39) PTGDR2CYP2C9PTGDRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010034-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2010-01-14 US claimed
EP-2094266-A1 CRTH2 ANTAGONISTS Argenta Discovery Limited (GB) 2009-09-02 EP claimed
WO-2008074966-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2008-06-26 WO claimed
US-20100010034-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2010-01-14 US disclosed
US-20100010034-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2010-01-14 US disclosed
US-20100010034-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2010-01-14 US disclosed
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
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
WO-2008074966-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2008-06-26 WO 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 PTGDR2 167/4885LMNA 2207/4885CYP1A2 3505/4885

“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.