SCHEMBL19206629

SCHEMBL19206629

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(CCO)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.71
IDH1 O75874 1/20 0.43
TRPV4 Q9HBA0 1/20 0.42
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41
PTGS2 P35354 3/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EPHX2 P34913 1/20 0.40
NPC1 O15118 1/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
PIM1 P11309 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL2026896 0.88 NR3C2 (0.56) NR3C2IDH1TRPV4FPR1FPR2
SCHEMBL1381714 0.83 NR3C2 (1.00) NR3C2LMNATDP1MAOARORC
SCHEMBL29571805 0.83 NR3C2 (1.00) NR3C2LMNATDP1MAOARORC
SCHEMBL20306403 0.82 NR3C2 (0.73) NR3C2IDH1TRPV4LMNAPOLB
SCHEMBL18593496 0.81 NR3C2 (0.77) NR3C2PTGS2ELANE
SCHEMBL19775750 0.81 NR3C2 (0.67) NR3C2IDH1LMNAPOLBCYP3A4
SCHEMBL24240598 0.80 NR3C2 (0.65) NR3C2LMNAPOLBMAOACYP2C19
SCHEMBL1380377 0.80 NR3C2 (0.67) NR3C2PTGS2MAOASMN1; SMN2
SCHEMBL2437620 0.80 NR3C2 (0.78) NR3C2PTGS2POLBTDP1NPC1
SCHEMBL1383401 0.79 NR3C2 (0.78) NR3C2PTGS2MAOASMN1; SMN2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233341-A1 CRYSTAL OF PYRROLE DERIVATIVE AND METHOD FOR PRODUCING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-08-17 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-20170233341-A1 CRYSTAL OF PYRROLE DERIVATIVE AND METHOD FOR PRODUCING THE SAME NR3C2, MC2R, CRHR1 NR3C2 1/4885IDH1 1955/4885TRPV4 2215/4885

“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.