SCHEMBL17700760

SCHEMBL17700760

C=CCOC(=O)c1ccc(OC)cc1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
CPS1 P31327 9/20 0.50
GAA P10253 2/20 0.47
FLT3 P36888 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 3/20 0.45
HPGD P15428 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
ALOX12 P18054 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL8786984 0.83 ALDH1A1 (0.60) CYP3A4GAAFLT3ALDH1A1TSHR
SCHEMBL12093644 0.82 KDM4E (0.56) CPS1GAAALDH1A1TSHRHPGD
SCHEMBL2831224 0.82 CYP3A4 (0.57) CYP3A4GAAALDH1A1TSHRHSD17B10
SCHEMBL9127373 0.81 CYP3A4 (0.56) CYP3A4ALDH1A1TSHRHSD17B10HPGD
SCHEMBL20267397 0.79 CPS1 (0.52) CPS1GAAALDH1A1TSHRMEN1
SCHEMBL8788296 0.79 MAPT (0.49) CYP3A4FLT3ALDH1A1MEN1KMT2A
SCHEMBL9328578 0.79 HPGD (0.58) CYP3A4CPS1GAAALDH1A1MEN1
SCHEMBL1554929 0.78 CPS1 (0.61) CYP3A4CPS1GAAALDH1A1MEN1
SCHEMBL28053004 0.77 CPS1 (0.59) CYP3A4CPS1GAAALDH1A1MEN1
SCHEMBL29639738 0.76 ALDH1A1 (0.65) CYP3A4CPS1GAAALDH1A1MEN1

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
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 CYP3A4 2523/4885CPS1 2626/4885GAA 2673/4885

“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.