SCHEMBL15436765

SCHEMBL15436765

CS(=O)(=O)NC12CC3CC(C1)C(N1C(=O)c4ccccc4C1=O)C(C3)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.36
ALDH1A1 P00352 8/20 0.35
KDM4E B2RXH2 6/20 0.35
KLK7 P49862 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.33
CHRM2 P08172 1/20 0.33
OPRM1 P35372 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
IKZF3 Q9UKT9 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX2 P34913 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL13195576 1.00 HSD11B1 (0.36) HSD11B1ALDH1A1KDM4EKLK7LMNA
SCHEMBL13195986 0.80 FAAH (0.42) ALDH1A1KDM4ELMNAHTTTSHR
SCHEMBL15436471 0.80 FAAH (0.42) ALDH1A1KDM4ELMNAHTTTSHR
SCHEMBL15436462 0.78 CNR2 (0.43) ALDH1A1KDM4ELMNAHTTEPHX2
SCHEMBL13195577 0.78 CNR2 (0.43) ALDH1A1KDM4ELMNAHTTEPHX2
SCHEMBL15436458 0.77 PSMB5 (0.48) ALDH1A1KDM4ELMNAHTTTDP1
SCHEMBL13195980 0.77 PSMB5 (0.48) ALDH1A1KDM4ELMNAHTTTDP1
SCHEMBL13195981 0.76 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAHTTTDP1
SCHEMBL15436562 0.76 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAHTTTDP1
SCHEMBL15436465 0.74 DDB1 (0.41) HSD11B1ALDH1A1KDM4ELMNAHTT

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
EP-2687515-A1 METHOD FOR PRODUCING PYRAZOLECARBOXYLIC ACID DERIVATIVE Shionogi & Co., Ltd. (JP) 2014-01-22 EP disclosed
US-20140012013-A1 METHOD FOR PRODUCING PYRAZOLE CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 2014-01-09 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-20140012013-A1 METHOD FOR PRODUCING PYRAZOLE CARBOXYLIC ACID DERIVATIVE HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885ALDH1A1 115/4885KDM4E 2702/4885

“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.