SCHEMBL3842541

SCHEMBL3842541

COc1cc(C(N)=O)ccc1OCC(OC)OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.68
TSHR P16473 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
TPMT P51580 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
PRSS1 P07477 4/20 0.49
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CTNNB1 P35222 1/20 0.46

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
SCHEMBL6087221 0.83 MAPK1 (0.65) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL29415167 0.82 MAPK1 (0.77) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL335681 0.82 MAPK1 (0.77) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL4271224 0.82 MAPK1 (0.63) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL6944861 0.81 MAPK1 (1.00) MAPK1TSHRCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL5154533 0.81 MAPK1 (0.74) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL16533679 0.80 MAPK1 (0.74) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL3344997 0.80 MAPK1 (0.60) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL12970778 0.79 MAPK1 (0.72) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL9502719 0.79 MAPK1 (0.72) MAPK1TSHRCYP1A2CYP3A4CYP2C9

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-1828207-B1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-28 EP disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 US disclosed
EP-1828207-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066174-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 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-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R MAPK1 791/4885TSHR 21/4885CYP1A2 1074/4885

“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.