SCHEMBL15021708

SCHEMBL15021708

CCCOc1nc(Oc2ccc(F)cc2F)nc2oc(-c3cc(C)c(OCC(=O)N4CCCC4C(=O)O)c(C)c3)nc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
S1PR1 P21453 1/20 0.33
MEN1 O00255 3/20 0.33
BRD4 O60885 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TPH1 P17752 1/20 0.32

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
SCHEMBL2224861 1.00 KMT2A (0.39) KMT2AHCRTR1HCRTR2NPC1RAB9A
SCHEMBL2226516 0.95 KMT2A (0.37) KMT2ACCNT1CDK9S1PR1MEN1
SCHEMBL15021656 0.95 KMT2A (0.37) KMT2ACCNT1CDK9S1PR1MEN1
SCHEMBL15021296 0.95 KMT2A (0.38) KMT2ACCNT1CDK9S1PR1MEN1
SCHEMBL2226746 0.95 KMT2A (0.38) KMT2ACCNT1CDK9S1PR1MEN1
SCHEMBL15021634 0.94 KMT2A (0.38) KMT2AS1PR1L3MBTL1
SCHEMBL2226615 0.94 KMT2A (0.38) KMT2AS1PR1L3MBTL1
SCHEMBL2224866 0.92 HCRTR1 (0.34) HCRTR1HCRTR2NPC1RAB9AS1PR1
SCHEMBL15021796 0.90 S1PR1 (0.38) KMT2AS1PR1MEN1L3MBTL1
SCHEMBL2226920 0.90 S1PR1 (0.38) KMT2AS1PR1MEN1L3MBTL1

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-8846691-B2 Heterocyclic carboxylic acid derivatives having a 2,5,7-substituted oxazolopyrimidine ring SANOFI (FR) 2014-09-30 US claimed
US-20130158051-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2013-06-20 US claimed
US-8846691-B2 Heterocyclic carboxylic acid derivatives having a 2,5,7-substituted oxazolopyrimidine ring SANOFI (FR) 2014-09-30 US disclosed
US-20130158051-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2013-06-20 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-20130158051-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE RING OXGR1, DPYD, FGF2 KMT2A 2818/4885HCRTR1 646/4885HCRTR2 824/4885

“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.