SCHEMBL2968381

SCHEMBL2968381

COC(=O)Cc1cc(F)cc(OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
LTB4R Q15722 2/20 0.47
LTB4R2 Q9NPC1 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSP90AB1 P08238 1/20 0.46
NR4A2 P43354 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MAOB P27338 4/20 0.45
ALOX5 P09917 3/20 0.45
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL490786 0.90 MEN1 (0.59) MEN1KMT2ALTB4RLTB4R2NPC1
SCHEMBL9204780 0.90 LTB4R (0.55) MEN1KMT2ALTB4RLTB4R2NPC1
SCHEMBL136471 0.87 MAOB (0.54) MEN1KMT2ALTB4RLTB4R2NR4A2
SCHEMBL1592618 0.86 HSP90AB1 (0.61) MEN1KMT2ALTB4RLTB4R2NPC1
SCHEMBL137942 0.86 LTB4R (0.57) MEN1KMT2ALTB4RLTB4R2NR4A2
SCHEMBL12703271 0.85 LTB4R (0.56) MEN1KMT2AMRGPRX4LTB4RLTB4R2
SCHEMBL11891941 0.85 MEN1 (0.50) MEN1KMT2ALTB4RLTB4R2NPC1
SCHEMBL10077742 0.84 PPARG (0.53) MEN1KMT2AMRGPRX4LTB4RLTB4R2
SCHEMBL348012 0.84 MRGPRX4 (0.52) MEN1KMT2AMRGPRX4LTB4RLTB4R2
SCHEMBL135927 0.83 NR4A2 (0.49) MEN1KMT2AMRGPRX4LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781469-B2 Arylacetate derivatives having isoxazole skeleton SHIONOGI & CO., LTD. (JP) 2010-08-24 US disclosed
US-7781469-B2 Arylacetate derivatives having isoxazole skeleton SHIONOGI & CO., LTD. (JP) 2010-08-24 US disclosed
US-20090062531-A1 Arylacetate Derivatives Having Isoxazole Skeleton SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
US-20090062531-A1 Arylacetate Derivatives Having Isoxazole Skeleton SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
EP-1887000-A1 ARYLACETATE DERIVATIVE HAVING ISOXAZOLE SKELETON Shionogi Co., Ltd. (JP) 2008-02-13 EP 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-20090062531-A1 Arylacetate Derivatives Having Isoxazole Skeleton CYP2A7, CYP4X1, HAX1 MEN1 3857/4885KMT2A 1483/4885MRGPRX4 458/4885

“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.