SCHEMBL1736058

SCHEMBL1736058

COC(=O)CCS(=O)(=O)CCC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
CA12 O43570 4/20 0.47
CA14 Q9ULX7 4/20 0.47
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
HSD17B10 Q99714 2/20 0.41
APEX1 P27695 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 4/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL8984274 0.83 APEX1 (0.55) GAAAPEX1KMT2AMEN1ALDH1A1
SCHEMBL9270029 0.82 TSHR (0.55) TSHRCA12CA14GAAMGAM
SCHEMBL15743338 0.81 TSHR (0.48) TSHRCA12CA14GAAMGAM
SCHEMBL20091605 0.81 TSHR (0.48) TSHRCA12CA14GAAMGAM
SCHEMBL5593795 0.81 TSHR (0.48) TSHRCA12CA14GAAMGAM
SCHEMBL28692819 0.80 TSHR (0.52) TSHRCA12CA14GAAMGAM
SCHEMBL21784779 0.79 TSHR (0.46) TSHRCA12CA14GAAMGAM
SCHEMBL17072395 0.79 TSHR (0.46) TSHRCA12CA14GAAMGAM
SCHEMBL13901848 0.78 APEX1 (0.41) TSHRGAAMGAMSIMGAM2
SCHEMBL17070325 0.78 CA12 (0.51) TSHRCA12CA14HSD17B10APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885722-B1 QUINOLINE DERIVATIVES AS EP4 ANTAGONISTS MERCK CANADA INC (CA) 2011-11-16 EP disclosed
US-20110262430-A1 NOVEL ANTIBODIES ELLIS JONATHAN HENRY 2011-10-27 US disclosed
US-8013159-B2 Quinoline derivatives as EP4 antagonists MERCK CANADA INC. (CA) 2011-09-06 US disclosed
US-8013159-B2 Quinoline derivatives as EP4 antagonists MERCK CANADA INC. (CA) 2011-09-06 US disclosed
US-8013159-B2 Quinoline derivatives as EP4 antagonists MERCK CANADA INC. (CA) 2011-09-06 US disclosed
US-20090099226-A1 Quinoline derivatives as ep4 antagonists MERCK CANADA INC. (CA) 2009-04-16 US disclosed
US-20090099226-A1 Quinoline derivatives as ep4 antagonists MERCK CANADA INC. (CA) 2009-04-16 US disclosed
US-20090099226-A1 Quinoline derivatives as ep4 antagonists MERCK CANADA INC. (CA) 2009-04-16 US disclosed
EP-1885722-A1 QUINOLINE DERIVATIVES AS EP4 ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2008-02-13 EP disclosed
WO-2006122403-A1 QUINOLINE DERIVATIVES AS EP4 ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2006-11-23 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-20090099226-A1 Quinoline derivatives as ep4 antagonists PTGER4, PTGER1, PTGER3 TSHR 1051/4885CA12 3099/4885CA14 2032/4885

“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.