SCHEMBL4259931

SCHEMBL4259931

O=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.64
DGAT1 O75907 5/20 0.56
TRPV1 Q8NER1 4/20 0.56
MAPT P10636 2/20 0.54
IGF2BP2 Q9Y6M1 1/20 0.49
NAMPT P43490 1/20 0.48
ABL1 P00519 2/20 0.48
TP53 P04637 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL4262412 0.90 SMO (0.64) SMODGAT1MAPTTP53
SCHEMBL4261440 0.90 SMO (0.74) SMODGAT1TRPV1TP53
SCHEMBL4254381 0.88 SMO (0.69) SMODGAT1TRPV1MAPT
SCHEMBL4260410 0.87 SMO (0.68) SMODGAT1TRPV1MAPT
SCHEMBL4263809 0.87 SMO (0.74) SMODGAT1TRPV1MAPT
SCHEMBL4263832 0.86 SMO (0.64) SMODGAT1TRPV1MAPTTP53
SCHEMBL4257547 0.85 SMO (0.69) SMODGAT1TRPV1MAPTHDAC6
SCHEMBL4252955 0.84 SMO (0.64) SMODGAT1TRPV1NAMPTTP53
SCHEMBL4256983 0.83 SMO (0.63) SMODGAT1TRPV1MAPT
SCHEMBL4263798 0.82 SMO (0.61) SMODGAT1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404722-B2 Oxazole compounds compositions and methods of use AMGEN INC. (US) 2013-03-26 US claimed
US-20110060011-A1 OXAZOLE COMPOUNDS COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2011-03-10 US claimed
WO-2009151495-A2 OXAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2009-12-17 WO claimed
US-8404722-B2 Oxazole compounds compositions and methods of use AMGEN INC. (US) 2013-03-26 US disclosed
US-20110060011-A1 OXAZOLE COMPOUNDS COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2011-03-10 US disclosed
WO-2009151495-A2 OXAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2009-12-17 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-20110060011-A1 OXAZOLE COMPOUNDS COMPOSITIONS AND METHODS OF USE OXA1L, CYP11B2, CYP3A7 SMO 1063/4885DGAT1 2723/4885TRPV1 2292/4885

“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.