SCHEMBL1736007

SCHEMBL1736007

COC(=O)CCSCCC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
HSD17B10 Q99714 4/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 4/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
SLC1A1 P43005 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
SCHEMBL112204 0.91 TSHR (0.63) TSHRMGAMGAASIMGAM2
SCHEMBL15282755 0.88 TSHR (0.60) TSHRMGAMGAASIMGAM2
SCHEMBL9589394 0.84 TSHR (0.50) TSHRMGAMGAASIMGAM2
SCHEMBL10918181 0.84 MGAM (0.46) TSHRMGAMGAASIMGAM2
SCHEMBL3504701 0.83 ALDH1A1 (0.56) TSHRGAAHSD17B10KMT2AALDH1A1
SCHEMBL10606947 0.82 TSHR (0.52) TSHRMGAMGAASIMGAM2
SCHEMBL10509272 0.82 TSHR (0.52) TSHRMGAMGAASIMGAM2
SCHEMBL579015 0.82 HSD17B10 (0.64) TSHRHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL18651666 0.82 TSHR (0.39) TSHRMGAMGAASIMGAM2
SCHEMBL3086758 0.81 TSHR (0.57) TSHRMGAMGAASIMGAM2

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 1051/4885MGAM 4863/4885GAA 4855/4885

“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.