SCHEMBL1258293

SCHEMBL1258293

Cc1ccc(C(=O)O)c(=O)n1-c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
NOTUM Q6P988 3/20 0.47
MYC P01106 14/20 0.47
PTPN1 P18031 1/20 0.47
NR4A1 P22736 4/20 0.46
KLKB1 P03952 1/20 0.43
CTSB P07858 1/20 0.43
ELANE P08246 1/20 0.43
MMP9 P14780 1/20 0.43
DUSP3 P51452 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
PTPN7 P35236 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL29812371 0.89 MYC (0.51) NOTUMMYCPTPN1NR4A1KLKB1
SCHEMBL1260359 0.89 MYC (0.51) NOTUMMYCPTPN1NR4A1KLKB1
SCHEMBL1259746 0.86 MYC (0.50) NOTUMMYCPTPN1NR4A1KLKB1
SCHEMBL1258106 0.86 MYC (0.50) NOTUMMYCPTPN1NR4A1KLKB1
SCHEMBL1259150 0.84 NOTUM (0.61) NOTUMMYCPTPN1NR4A1KLKB1
SCHEMBL679510 0.79 NOTUM (0.60) NOTUMMYCNR4A1KLKB1CTSB
SCHEMBL25528985 0.78 MYC (0.42) NOTUMMYCPTPN1NR4A1KLKB1
SCHEMBL1259645 0.78 MYC (0.50) NOTUMMYCPTPN1NR4A1KLKB1
SCHEMBL9339091 0.78 GLA (0.46) GLAMYCNR4A1ESR1ALOX15
SCHEMBL1259527 0.77 NOTUM (0.66) NOTUMMYCNR4A1KLKB1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 GLA 3037/4885NOTUM 1749/4885MYC 207/4885

“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.