SCHEMBL2968877

SCHEMBL2968877

CC(C)(C)OC(=O)N(F)c1ccccc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
BCHE P06276 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
ELANE P08246 1/20 0.32
PRTN3 P24158 1/20 0.32
ERN1 O75460 2/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
TLR6 Q9Y2C9 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
SCHEMBL30346189 0.83 PAX8 (0.40) LMNAMEN1THRBBLMKMT2A
SCHEMBL24190075 0.83 PAX8 (0.40) LMNAMEN1THRBBLMKMT2A
SCHEMBL5349941 0.80 LMNA (0.36) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL4931096 0.78 ALDH1A1 (0.35) LMNATDP1ALDH1A1TSHRBCHE
SCHEMBL27583175 0.77 LMNA (0.43) LMNAMEN1THRBBLMKMT2A
SCHEMBL4922321 0.76 POLB (0.41) LMNAALDH1A1POLBL3MBTL1SMN1; SMN2
SCHEMBL2975415 0.75 LMNA (0.44) LMNAMEN1THRBBLMKMT2A
SCHEMBL27536175 0.74 MEN1 (0.41) LMNAMEN1KMT2ATDP1ALDH1A1
SCHEMBL4921605 0.74 NPSR1 (0.43) KMT2ATDP1ALDH1A1HTT
SCHEMBL29814142 0.72 HTR2C (0.41) MEN1KMT2APTGDR2CYP2C19

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-7772244-B2 Therapeutic agents for the treatment of migraine BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
EP-1730137-A1 HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE Bristol-Myers Squibb Company (US) 2006-12-13 EP disclosed
WO-2005095383-A1 HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 WO disclosed
US-20050215576-A1 Novel therapeutic agents for the treatment of migraine BRISTOL-MYERS SQUIBB COMPANY 2005-09-29 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-20050215576-A1 Novel therapeutic agents for the treatment of migraine CALCRL, CALCR, CALCA LMNA 3181/4885MEN1 1309/4885THRB 562/4885

“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.