SCHEMBL716976

SCHEMBL716976

CC(=O)c1cc(F)cc(F)c1OCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.44
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARD Q03181 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CD69 Q07108 3/20 0.39
ELANE P08246 1/20 0.39
MAOB P27338 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGER2 P43116 1/20 0.36
HPGD P15428 1/20 0.36
PTPRB P23467 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL30933182 0.83 MAOB (0.36) TSHRSMN1; SMN2KDM4EMAOBCES2
SCHEMBL24158911 0.79 RXRA (0.39) SMN1; SMN2MAOBCES2CES1
SCHEMBL29683982 0.79 RXRA (0.39) SMN1; SMN2MAOBCES2CES1
SCHEMBL17041577 0.79 MAOB (0.52) SMN1; SMN2MAOBHPGD
SCHEMBL1942020 0.78 CES2 (0.44) MAOBCES2CES1HPGD
SCHEMBL4575617 0.77 PKM (0.57) PTGDR2TSHRSMN1; SMN2PKMCD69
SCHEMBL31371203 0.75 TSHR (0.36) TSHRSMN1; SMN2MAOBCES2CES1
SCHEMBL718460 0.74 PTGDR2 (0.68) PTGDR2TSHRSMN1; SMN2PPARDPKM
SCHEMBL2059557 0.74 AGBL2 (0.46) TSHRSMN1; SMN2PPARDPKMKDM4E
SCHEMBL15048746 0.73 TSHR (0.44) TSHRSMN1; SMN2KDM4ECES2CES1

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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PTGDR2 1217/4885TSHR 1555/4885SMN1; SMN2 1051/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PTGDR2 1217/4885TSHR 1555/4885SMN1; SMN2 1051/4885

“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.