SCHEMBL2771246

SCHEMBL2771246

CCOC(=O)Cc1c(C)c(Sc2ccc(NS(=O)(=O)CC)cc2)n2cc(F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.46
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 5/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL2769764 0.90 PTGDR2 (0.57) PTGDR2LMNAHPGDMAPTTP53
SCHEMBL2774269 0.86 PTGDR2 (0.51) PTGDR2ALDH1A1LMNATSHRKDM4E
SCHEMBL3564465 0.86 PTGDR2 (0.52) PTGDR2ALDH1A1LMNATSHRKDM4E
SCHEMBL27735064 0.85 PTGDR2 (0.41) PTGDR2ALDH1A1LMNATSHRKDM4E
SCHEMBL3304453 0.84 PTGDR2 (0.46) PTGDR2ALDH1A1LMNAHPGDMEN1
SCHEMBL3569716 0.84 PTGDR2 (0.45) PTGDR2ALDH1A1LMNATSHRKDM4E
SCHEMBL3579992 0.83 PTGDR2 (0.48) PTGDR2ALDH1A1LMNATSHRKDM4E
SCHEMBL3566841 0.82 ALDH1A1 (0.44) PTGDR2ALDH1A1LMNATSHRKDM4E
SCHEMBL2771887 0.80 PTGDR2 (0.47) PTGDR2ALDH1A1LMNATSHRHSD17B10
SCHEMBL3302540 0.80 PTGDR2 (0.42) PTGDR2ALDH1A1LMNAKDM4EHSD17B10

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
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
US-20090163534-A1 Indolizine Derivatives ARGENTA DISCOVERY LIMITED (GB) 2009-06-25 US disclosed
WO-2008074966-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2008-06-26 WO 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 (2 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 3086/4885LMNA 3422/4885
US-20100010034-A1 CRTH2 ANTAGONISTS HRH2, MDH2, HRH1 PTGDR2 167/4885ALDH1A1 831/4885LMNA 2207/4885

“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.