SCHEMBL13078099

SCHEMBL13078099

CC1(C)OB(c2ccc(S(=O)(=O)N3CCC4(CC3)C(=O)N(CC=O)c3ccccc34)cc2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
OPRL1 P41146 9/20 0.36
OXTR P30559 1/20 0.35
OPRM1 P35372 3/20 0.35
OPRK1 P41145 2/20 0.35
C5AR1 P21730 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL3733538 0.85 OPRL1 (0.54) OPRL1OPRM1OPRK1
SCHEMBL13078162 0.80 PKM (0.47) AOC2OPRL1LMNASMN1; SMN2MEN1
SCHEMBL13078159 0.77 L3MBTL1 (0.38) AOC2CA1CA2CA9OXTR
SCHEMBL13078098 0.75 MEN1 (0.48) OPRL1OPRM1OPRK1C5AR1SMN1; SMN2
SCHEMBL16812348 0.73 OPRL1 (0.48) AOC2OPRL1OPRM1OPRK1C5AR1
SCHEMBL13077798 0.72 KMT2A (0.54) OPRL1LMNAMEN1ALDH1A1KMT2A
SCHEMBL17393917 0.72 HSD11B1 (0.54) CA1CA2CA9SMN1; SMN2MEN1
SCHEMBL17394023 0.72 POLB (0.44) CA1CA2CA9SMN1; SMN2MEN1
SCHEMBL1367859 0.71 POLB (0.57) CA1CA2CA9LMNASMN1; SMN2
SCHEMBL12362454 0.70 L3MBTL1 (0.46) OPRL1OPRM1OPRK1C5AR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-04 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-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS PTGDR2, PTGDR, LTB4R2 AOC2 2547/4885CA1 4736/4885CA2 2454/4885

“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.