SCHEMBL3099668

SCHEMBL3099668

Cc1cc(F)ccc1-c1cc(CO)c(C)o1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.38
ESR1 P03372 5/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC9A1 P19634 2/20 0.34
S1PR1 P21453 1/20 0.33
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
P2RX7 Q99572 1/20 0.32
TSHR P16473 1/20 0.32
FFAR1 O14842 1/20 0.32
PPARG P37231 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 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
SCHEMBL3106962 0.88 PDE4B (0.40) GAASLC9A1S1PR1P2RX7
SCHEMBL3098816 0.82 S1PR1 (0.40) SLC9A1S1PR1
SCHEMBL3094113 0.81 NOTUM (0.39) ESR1ALDH1A1GAAKDM4EL3MBTL1
SCHEMBL3111596 0.80 POLH (0.37) MAPK14ESR1ALDH1A1GAAKDM4E
SCHEMBL3106540 0.79 GABRP (0.41) MAPK14
SCHEMBL3104666 0.76 CA12 (0.34) ESR1SLC9A1TSHR
SCHEMBL3103123 0.75 GABRP (0.46) GAASLC9A1
SCHEMBL3095434 0.72 SLC9A1 (0.36) ESR1ALDH1A1KDM4ESLC9A1PDE3B
SCHEMBL3101102 0.72 POLB (0.47) ESR1ALDH1A1GAAKDM4E
SCHEMBL30303044 0.72 MAPK14 (0.40) MAPK14P2RX7

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-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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 (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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR MAPK14 1389/4885ESR1 606/4885ALDH1A1 3963/4885

“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.