SCHEMBL13530305

SCHEMBL13530305

Cc1ccc(COc2ncc(F)c(NC(=O)OCc3ccccc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ROCK2 O75116 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAP3K5 Q99683 1/20 0.40
PTGER1 P34995 1/20 0.39
MGLL Q99685 1/20 0.39
GLO1 Q04760 1/20 0.39
CASP3 P42574 1/20 0.39
MMP12 P39900 1/20 0.39

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
SCHEMBL13529743 0.93 ROCK2 (0.49) NPC1RAB9AROCK2POLBSMN1; SMN2
SCHEMBL13529607 0.91 MGLL (0.48) NPC1RAB9AROCK2POLBSMN1; SMN2
SCHEMBL13530135 0.90 SMN1; SMN2 (0.42) TRPV1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL13529399 0.90 KDM4E (0.44) NPC1RAB9AROCK2POLBSMN1; SMN2
SCHEMBL13530145 0.87 MEN1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL13529968 0.87 ALDH1A1 (0.38) TRPV1SMN1; SMN2MAPK1USP2ALDH1A1
SCHEMBL13530119 0.86 MGLL (0.46) NPC1RAB9AROCK2POLBMAPK1
SCHEMBL13530013 0.86 TRPV1 (0.39) TRPV1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL14695599 0.86 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL13529495 0.85 NLRP3 (0.50) ROCK2SMN1; SMN2MAPK1ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 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 (3 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-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 TRPV1 4515/4885NPC1 2157/4885RAB9A 1663/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 TRPV1 4515/4885NPC1 2157/4885RAB9A 1663/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 TRPV1 4515/4885NPC1 2157/4885RAB9A 1663/4885

“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.