SCHEMBL2082007

SCHEMBL2082007

COC(=O)c1csc2ccc(-c3ccc(O)cc3C)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
HSD17B1 P14061 1/20 0.44
ESR2 Q92731 5/20 0.43
ESR1 P03372 3/20 0.43
CHEK1 O14757 1/20 0.40
MET P08581 1/20 0.40
GSK3B P49841 1/20 0.40
LIMK1 P53667 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CYP46A1 Q9Y6A2 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL498008 0.90 HSD17B1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL2770758 0.79 HSD17B1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL17669510 0.77 FFAR1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL30701731 0.76 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL1324146 0.76 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2083909 0.76 NR4A2 (0.62) CA12CA1CA2CA7CA9
SCHEMBL2770364 0.76 PDK2 (0.50) CA12CA1CA2CA7CA9
SCHEMBL2775281 0.76 CA12 (0.50) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL30701699 0.74 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL2811662 0.74 CA12 (0.44) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984360-B1 Compounds and methods for modulating FX-receptors LILLY CO ELI (US) 2014-01-15 EP disclosed
US-7863302-B2 Compounds and methods for modulating FX-receptors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2008-12-11 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-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors F2R, TBXA2R, PTAFR CA12 4473/4885CA1 4563/4885CA2 3527/4885

“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.