SCHEMBL18158939

SCHEMBL18158939

CNC(=O)c1cnc(SSC[C@H](C)C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.38
STAMBP O95630 1/20 0.38
COPS5 Q92905 1/20 0.38
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HCAR3 P49019 7/20 0.35
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
JAK2 O60674 1/20 0.33
MAPT P10636 1/20 0.33
HPGDS O60760 1/20 0.33
GAA P10253 1/20 0.32
MYC P01106 1/20 0.32
MAX P61244 1/20 0.32

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
SCHEMBL18158922 0.77 PSMD14 (0.42) PSMD14STAMBPCOPS5ALDH1A1SMN1; SMN2
SCHEMBL13021077 0.75 MEN1 (0.49) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL18158949 0.74 MEN1 (0.54) PSMD14STAMBPCOPS5ALDH1A1SMN1; SMN2
SCHEMBL18158938 0.74 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2HCAR3MEN1KMT2A
SCHEMBL30871315 0.68 JAK2 (0.46) PSMD14STAMBPCOPS5ALDH1A1SMN1; SMN2
SCHEMBL31030192 0.68 MAPT (0.43) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL14281301 0.66 KMT2A (0.46) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL13755332 0.66 KMT2A (0.46) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL29859154 0.66 TSHR (0.47) ALDH1A1SMN1; SMN2HCAR3MAPTGAA
SCHEMBL18397215 0.66 TSHR (0.47) ALDH1A1SMN1; SMN2HCAR3MAPTGAA

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-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR TOKYO UNIVERSITY OF PHARMACY & LIFE SCIENCES (JP) 2016-10-20 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-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR VIP, MRPL21, THEM6 PSMD14 2118/4885STAMBP 958/4885COPS5 1932/4885

“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.