SCHEMBL20306403

SCHEMBL20306403

Cc1ccc(C(F)(F)F)c(-c2c(C)c(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cn2CCO)c1C

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.73
PDE7A Q13946 2/20 0.37
IDH1 O75874 1/20 0.37
PTGES O14684 1/20 0.36
AVPR2 P30518 2/20 0.36
GPR27 Q9NS67 2/20 0.36
KIT P10721 1/20 0.35
ELANE P08246 4/20 0.35
PDE4A P27815 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34

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
SCHEMBL18593496 0.90 NR3C2 (0.77) NR3C2PDE7APTGESAVPR2GPR27
SCHEMBL29571805 0.84 NR3C2 (1.00) NR3C2PDE7APTGESAVPR2GPR27
SCHEMBL1381714 0.84 NR3C2 (1.00) NR3C2PDE7APTGESAVPR2GPR27
SCHEMBL1380377 0.84 NR3C2 (0.67) NR3C2PDE7AAVPR2GPR27PDE4A
SCHEMBL19206629 0.82 NR3C2 (0.71) NR3C2IDH1ELANELMNAPOLB
SCHEMBL2438254 0.80 NR3C2 (0.75) NR3C2AVPR2GPR27LMNAPOLB
SCHEMBL1378883 0.79 NR3C2 (0.90) NR3C2PDE7APTGESAVPR2GPR27
SCHEMBL19775750 0.79 NR3C2 (0.67) NR3C2PDE7AIDH1AVPR2GPR27
SCHEMBL1383401 0.79 NR3C2 (0.78) NR3C2PDE7AAVPR2GPR27PDE4A
SCHEMBL1380002 0.79 NR3C2 (0.88) NR3C2PDE7APTGESAVPR2GPR27

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190175551-A1 MEDICINE FOR TREATING RENAL DISEASE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-06-13 US disclosed
US-10005725-B2 Method for producing pyrrole derivative, and intermediate thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-06-26 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 (2 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-20190175551-A1 MEDICINE FOR TREATING RENAL DISEASE REN, NR3C2, ATP6V1B1 NR3C2 2/4885PDE7A 1204/4885IDH1 3647/4885
US-10005725-B2 Method for producing pyrrole derivative, and intermediate thereof NR3C2, MC2R, CYP11B2 NR3C2 1/4885PDE7A 586/4885IDH1 2140/4885

“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.