SCHEMBL2980043

SCHEMBL2980043

COC(=O)/C(=C\c1ccc2c(cnn2S(=O)(=O)CC[Si](C)(C)C)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE1C Q14123 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGAV P06756 2/20 0.33
MIF P14174 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
TACR3 P29371 1/20 0.31
ATM Q13315 1/20 0.31
OPRD1 P41143 1/20 0.31

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
SCHEMBL2980044 1.00 KDM4E (0.37) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL2978456 0.86 KDM4E (0.38) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL2978458 0.86 KDM4E (0.38) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL18324549 0.82 TACR3 (0.34) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL27626905 0.82 KDM4E (0.42) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL2984454 0.78 FAAH (0.35) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL2984456 0.78 FAAH (0.35) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL13052424 0.78 FAAH (0.35) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL2984308 0.78 KDM4E (0.39) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL2984307 0.78 KDM4E (0.39) KDM4EALDH1A1HPGDLMNASMN1; SMN2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
US-7842808-B2 calcitonin gene-related peptide receptors antagonists such as 4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylic acid[2-(1,4-dioxa-8-aza-spiro [4.5]dec-8-yl)-1-(1H-indol-5-ylmethyl)-2-oxo-ethyl]-amide, used for treating headaches, pain, hot flashes or respiratory system disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-7842808-B2 calcitonin gene-related peptide receptors antagonists such as 4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylic acid[2-(1,4-dioxa-8-aza-spiro [4.5]dec-8-yl)-1-(1H-indol-5-ylmethyl)-2-oxo-ethyl]-amide, used for treating headaches, pain, hot flashes or respiratory system disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-7772244-B2 Therapeutic agents for the treatment of migraine BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-7772244-B2 Therapeutic agents for the treatment of migraine BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-7754732-B2 Spirocyclic anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US disclosed
US-7754732-B2 Spirocyclic anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US disclosed
EP-1689493-A4 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-04-23 EP disclosed
US-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US disclosed
EP-1730137-A1 HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE Bristol-Myers Squibb Company (US) 2006-12-13 EP disclosed
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 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
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO disclosed
EP-1539766-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-06-15 EP disclosed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2003104236-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 WO 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 (3 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-20040063735-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR KDM4E 4815/4885ALDH1A1 2525/4885HPGD 431/4885
US-20050215576-A1 Novel therapeutic agents for the treatment of migraine CALCRL, CALCR, CALCA KDM4E 4595/4885ALDH1A1 3082/4885HPGD 384/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR KDM4E 4815/4885ALDH1A1 2525/4885HPGD 431/4885

“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.