SCHEMBL1668754

SCHEMBL1668754

O=S(=O)(CCCO)N1CCC(c2cc(F)c(OC3CN(Cc4ccc(C(F)(F)F)cc4)C3)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.40
EGLN1 Q9GZT9 1/20 0.38
KCNH2 Q12809 5/20 0.38
GPR119 Q8TDV5 5/20 0.38
CNR1 P21554 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PIK3CA P42336 1/20 0.36
PRKAA2 P54646 1/20 0.36
ADRB2 P07550 1/20 0.36
LMNA P02545 1/20 0.35
TEAD1 P28347 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL12800462 0.90 SIGMAR1 (0.39) ALDH1A1LMNA
SCHEMBL1671394 0.90 EPHX2 (0.46) EPHX2EGLN1KCNH2GPR119CNR1
SCHEMBL1668410 0.87 KDM4E (0.49) EPHX2KCNH2GPR119CNR1KDM4E
SCHEMBL1668510 0.83 HIF1A (0.38) EPHX2EGLN1KCNH2GPR119CNR1
SCHEMBL1668229 0.83 CNR1 (0.37) EPHX2EGLN1KCNH2GPR119CNR1
SCHEMBL11903802 0.82 CHRM2 (0.40) EPHX2EGLN1KCNH2GPR119CNR1
SCHEMBL1668262 0.81 KDM4E (0.48) KCNH2GPR119KDM4EALDH1A1PIK3CA
SCHEMBL1668675 0.81 CNR1 (0.36) EPHX2EGLN1KCNH2GPR119CNR1
SCHEMBL1670842 0.81 KDM4E (0.39) EGLN1KCNH2GPR119CNR1KDM4E
SCHEMBL12198321 0.79 KDM4E (0.52) KCNH2GPR119KDM4EALDH1A1PIK3CA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575168-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2013-11-05 US claimed
EP-2486033-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-15 EP claimed
US-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-06 US claimed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 WO claimed
US-8575168-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2013-11-05 US disclosed
US-8575168-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2013-11-05 US disclosed
US-8575168-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2013-11-05 US disclosed
EP-2486033-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-15 EP disclosed
US-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-06 US disclosed
US-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-06 US disclosed
US-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-06 US disclosed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 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 (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-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 EPHX2 1740/4885EGLN1 1269/4885KCNH2 1979/4885

“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.