SCHEMBL24142140

SCHEMBL24142140

COC(=O)[C@H]1CC[C@@H](N(OCc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1N

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.40
CCR5 P51681 5/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MMP2 P08253 2/20 0.39
MAPT P10636 1/20 0.38
ANPEP P15144 1/20 0.38

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
SCHEMBL24142105 1.00 MAPK1 (0.43) MAPK1TDP1ALDH1A1L3MBTL1ATM
SCHEMBL28577303 0.90 MMP2 (0.46) MAPK1TDP1ALDH1A1L3MBTL1ATM
SCHEMBL24142137 0.89 MMP2 (0.46) MAPK1TDP1ALDH1A1L3MBTL1ATM
SCHEMBL30695875 0.86 MAPK1 (0.41) MAPK1TDP1ALDH1A1L3MBTL1ATM
SCHEMBL30695869 0.86 CCR5 (0.42) MAPK1TDP1ALDH1A1L3MBTL1ATM
SCHEMBL23668284 0.83 MAPK1 (0.43) MAPK1TDP1ALDH1A1L3MBTL1ATM
SCHEMBL24141866 0.81 MAPK1 (0.45) MAPK1TDP1ALDH1A1L3MBTL1ATM
SCHEMBL23668286 0.81 MMP1 (0.43) MAPK1TDP1ALDH1A1L3MBTL1ATM
SCHEMBL23668279 0.79 CCR5 (0.43) MAPK1TDP1ALDH1A1ATMCCR5
SCHEMBL23668274 0.79 MAPK1 (0.39) MAPK1TDP1ALDH1A1L3MBTL1ATM

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-20210403427-A1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES API CORPORATION (JP) 2021-12-30 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-20210403427-A1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES PTGS2, PTGES, PTGES2 MAPK1 770/4885TDP1 3836/4885ALDH1A1 1057/4885

“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.