SCHEMBL2773692

SCHEMBL2773692

Cc1c(CC(=O)O)c2ccc(C(F)(F)F)cn2c1Sc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.58
CYP2C9 P11712 1/20 0.40
AKR1B1 P15121 1/20 0.40
AKR1C3 P42330 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 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
SCHEMBL2770081 0.89 PTGDR2 (0.46) PTGDR2PTGS1PTGS2
SCHEMBL2770201 0.87 PTGDR2 (0.75) PTGDR2CYP2C9AKR1B1
SCHEMBL2771401 0.85 PTGDR2 (0.50) PTGDR2CYP2C9AKR1B1AKR1C3PTGS2
SCHEMBL27734880 0.84 PTGDR2 (0.41) PTGDR2CYP2C9AKR1B1AKR1C3PTGS1
SCHEMBL2768804 0.83 PTGDR2 (0.56) PTGDR2CYP2C9AKR1B1
SCHEMBL2772669 0.83 PTGDR2 (0.52) PTGDR2CYP2C9AKR1B1PTGS2
SCHEMBL2768490 0.82 PTGDR2 (0.55) PTGDR2CYP2C9AKR1B1
SCHEMBL2769298 0.80 PTGDR2 (0.52) PTGDR2CYP2C9AKR1B1PTGS2
SCHEMBL27734876 0.80 PTGDR2 (0.36) PTGDR2CYP2C9AKR1B1AKR1C3PTGS1
SCHEMBL3569757 0.79 PTGDR2 (0.59) PTGDR2CYP2C9AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910357-B1 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS ARGENTA DISCOVERY LTD (GB) 2010-04-14 EP disclosed
EP-1910357-B1 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS ARGENTA DISCOVERY LTD (GB) 2010-04-14 EP disclosed
US-20090163534-A1 Indolizine Derivatives ARGENTA DISCOVERY LIMITED (GB) 2009-06-25 US disclosed
US-20090163534-A1 Indolizine Derivatives ARGENTA DISCOVERY LIMITED (GB) 2009-06-25 US disclosed
US-20090163534-A1 Indolizine Derivatives ARGENTA DISCOVERY LIMITED (GB) 2009-06-25 US disclosed
EP-1910357-A2 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS Argenta Discovery Limited (GB) 2008-04-16 EP disclosed
WO-2006136859-A2 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2006-12-28 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-20090163534-A1 Indolizine Derivatives HRH4, HRH2, NR1H2 PTGDR2 363/4885CYP2C9 720/4885AKR1B1 1165/4885

“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.