SCHEMBL3736827

SCHEMBL3736827

O=C(O)CN1C(=O)C2(CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
OPRL1 P41146 8/20 0.47
C5AR1 P21730 1/20 0.47
EGLN1 Q9GZT9 1/20 0.46
DCTPP1 Q9H773 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK8 P45983 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL3728625 0.89 OPRL1 (0.62) OPRL1
SCHEMBL3739308 0.84 OPRL1 (0.50) OPRL1C5AR1EGLN1ALDH1A1L3MBTL1
SCHEMBL3742780 0.83 OPRL1 (0.53) KMT2AMEN1OPRL1EGLN1
SCHEMBL3735041 0.83 OPRL1 (0.55) OPRL1EGLN1ALDH1A1LMNAPKM
SCHEMBL3730232 0.81 HSD11B1 (0.50) OPRL1EGLN1LMNAPOLB
SCHEMBL3729068 0.81 OPRL1 (0.54) KMT2AMEN1OPRL1EGLN1ALDH1A1
SCHEMBL3733515 0.80 OPRL1 (0.54) KMT2AMEN1OPRL1C5AR1EGLN1
SCHEMBL3742691 0.80 EGLN1 (0.47) KMT2AOPRL1EGLN1ALDH1A1L3MBTL1
SCHEMBL3738860 0.78 OPRL1 (0.52) KMT2AMEN1OPRL1EGLN1ALDH1A1
SCHEMBL2255992 0.78 EGLN1 (0.58) OPRL1C5AR1EGLN1

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
US-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-04 US disclosed
US-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-04 US disclosed
US-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-04 US disclosed
WO-2009061676-A2 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-05-14 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-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS PTGDR2, PTGDR, LTB4R2 KMT2A 4361/4885MEN1 4821/4885OPRL1 233/4885

“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.