SCHEMBL3102010

SCHEMBL3102010

COC(=O)c1ccc(OC(c2oc(-c3ccc(C(F)(F)F)cc3)cc2C)C2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
GCGR P47871 2/20 0.39
GCG P01275 2/20 0.39
MMP13 P45452 2/20 0.36
PPARD Q03181 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL3112974 0.91 PPARD (0.46) SMN1; SMN2TRPV1NPC1HPGDRAB9A
SCHEMBL3112952 0.87 GCGR (0.38) LMNASMN1; SMN2TRPV1NPC1HPGD
SCHEMBL3095263 0.86 GCGR (0.57) GCGRGCG
SCHEMBL3100257 0.85 GCGR (0.37) SMN1; SMN2TRPV1NPC1HPGDRAB9A
SCHEMBL3106979 0.84 GCGR (0.43) TRPV1GCGRGCGPPARD
SCHEMBL3093701 0.81 SMN1; SMN2 (0.41) LMNASMN1; SMN2TRPV1NPC1HPGD
SCHEMBL3095636 0.79 PPARD (0.40) SMN1; SMN2TRPV1NPC1HPGDRAB9A
SCHEMBL3112814 0.79 PPARD (0.42) SMN1; SMN2TRPV1NPC1HPGDRAB9A
SCHEMBL3103092 0.79 PPARD (0.41) SMN1; SMN2TRPV1NPC1HPGDRAB9A
SCHEMBL3095590 0.77 MMP13 (0.44) LMNASMN1; SMN2NPC1HPGDRAB9A

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 LMNA 2457/4885SMN1; SMN2 4692/4885TRPV1 2757/4885

“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.