SCHEMBL13077798

SCHEMBL13077798

COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)C(=O)N(CC=O)c2ccccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 6/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
TSHR P16473 4/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
HPGD P15428 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
OPRL1 P41146 1/20 0.43

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
SCHEMBL3738791 0.86 KMT2A (0.53) KMT2AALDH1A1L3MBTL1USP2LMNA
SCHEMBL3735016 0.85 OPRL1 (0.58) KMT2AALDH1A1L3MBTL1USP2LMNA
SCHEMBL13078162 0.78 PKM (0.47) KMT2AALDH1A1USP2LMNAHTT
SCHEMBL13845879 0.77 OPRL1 (0.49) ALDH1A1OPRL1
SCHEMBL13078098 0.77 MEN1 (0.48) KMT2ATSHRMAPTMEN1OPRL1
SCHEMBL16812348 0.73 OPRL1 (0.48) ALDH1A1L3MBTL1LMNAOPRL1
SCHEMBL13078099 0.72 AOC2 (0.37) KMT2AALDH1A1L3MBTL1USP2LMNA
SCHEMBL13078159 0.71 L3MBTL1 (0.38) KMT2AALDH1A1L3MBTL1USP2LMNA
SCHEMBL16812521 0.70 L3MBTL1 (0.38) KMT2AALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL12362459 0.69 OPRL1 (0.44) KMT2AALDH1A1L3MBTL1MEN1OPRL1

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 KMT2A 4361/4885ALDH1A1 2486/4885L3MBTL1 3732/4885

“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.