SCHEMBL2769893

SCHEMBL2769893

CCOC(=O)Cc1c(C)c(Sc2ccc(S(C)(=O)=O)cc2)n2cc(C#N)ccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.44
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C9 P11712 1/20 0.34
AKR1B1 P15121 1/20 0.34
HCRTR2 O43614 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2768490 0.89 PTGDR2 (0.55) PTGDR2CYP2C9AKR1B1
SCHEMBL3303151 0.86 CYP2C9 (0.44) PTGDR2ALDH1A1TSHRCYP2C9SMN1; SMN2
SCHEMBL3302840 0.86 ALDH1A1 (0.38) PTGDR2ALDH1A1LMNATSHRCYP2C9
SCHEMBL2772075 0.86 PTGDR2 (0.38) PTGDR2ALDH1A1KDM4ELMNATSHR
SCHEMBL4635980 0.83 L3MBTL1 (0.40) PTGDR2ALDH1A1KDM4ELMNATSHR
SCHEMBL2770081 0.83 PTGDR2 (0.46) PTGDR2ALDH1A1KDM4ELMNATSHR
SCHEMBL3580577 0.82 ALDH1A1 (0.35) PTGDR2ALDH1A1KDM4ELMNATSHR
SCHEMBL2769682 0.82 L3MBTL1 (0.41) PTGDR2ALDH1A1KDM4ELMNATSHR
SCHEMBL3568010 0.81 PTGDR2 (0.47) PTGDR2ALDH1A1PTGS1PTGS2
SCHEMBL3564465 0.78 PTGDR2 (0.52) PTGDR2ALDH1A1KDM4ELMNATSHR

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 4 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
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 363/4885ALDH1A1 3086/4885KDM4E 4750/4885

“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.