SCHEMBL1736046

SCHEMBL1736046

COC(=O)CCS(=O)(=O)O.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
CA12 O43570 5/20 0.50
CA14 Q9ULX7 5/20 0.50
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA2 P00918 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
RECQL P46063 1/20 0.35
FNTA P49354 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
SCHEMBL4374105 0.98 TSHR (0.57) TSHRCA12CA14CA7CA9
SCHEMBL17188350 0.84 TSHR (0.61) TSHRCA12CA14CA7CA9
SCHEMBL1403320 0.83 TSHR (0.54) TSHRCA12CA14CA7CA9
SCHEMBL1403311 0.83 TSHR (0.54) TSHRCA12CA14CA7CA9
Dimethyl Succinate SCHEMBL27988577 0.82 TSHR (0.72) TSHRCA12CA14CA7CA9
SCHEMBL17188351 0.82 TSHR (0.58) TSHRCA12CA14CA7CA9
SCHEMBL27607572 0.82 TSHR (0.44) TSHRCA12CA14CA7CA9
SCHEMBL10119664 0.80 TSHR (0.56) TSHRCA12CA14CA7CA9
SCHEMBL13762659 0.80 TSHR (0.56) TSHRCA12CA14CA7CA9
SCHEMBL13762658 0.80 TSHR (0.56) TSHRCA12CA14CA7CA9

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-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-20090099226-A1 Quinoline derivatives as ep4 antagonists MERCK CANADA INC. (CA) 2009-04-16 US 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.