SCHEMBL2115497

SCHEMBL2115497

CC(NC(=O)C1CN(S(C)(=O)=O)C2CCN(C(=O)C(N)C3CCCCC3)C12)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
XIAP P98170 1/20 0.41
BIRC3 Q13489 1/20 0.41
EPHX1 P07099 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP8 Q6V1X1 2/20 0.38
ALOX12 P18054 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
DPP4 P27487 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
SCHEMBL2622113 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KCNQ3KCNQ2XIAP
SCHEMBL2632168 0.86 XIAP (0.58) XIAPBIRC3
SCHEMBL2115200 0.86 XIAP (0.58) XIAPBIRC3
SCHEMBL2632238 0.86 XIAP (0.58) XIAPBIRC3
SCHEMBL17577899 0.85 XIAP (0.42) ALDH1A1SMN1; SMN2KCNQ3KCNQ2XIAP
SCHEMBL2117361 0.85 XIAP (0.42) ALDH1A1SMN1; SMN2KCNQ3KCNQ2XIAP
SCHEMBL2622112 0.85 XIAP (0.42) ALDH1A1SMN1; SMN2KCNQ3KCNQ2XIAP
SCHEMBL2733398 0.81 DPP4 (0.43) DPP8DPP4DPP9DPP7
SCHEMBL10284304 0.79 XIAP (0.51) XIAPBIRC3
SCHEMBL2115932 0.79 XIAP (0.51) XIAPBIRC3

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-20120094917-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP (US) 2012-04-19 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-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 ALDH1A1 4750/4885SMN1; SMN2 1032/4885KCNQ3 4396/4885

“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.