SCHEMBL23668286

SCHEMBL23668286

O=C(O)[C@@H]1CC[C@@H](N(OCc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.43
ADAM17 P78536 1/20 0.43
MMP2 P08253 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.40
CCR5 P51681 3/20 0.39
HTT P42858 1/20 0.38
FOLH1 Q04609 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
SCHEMBL24142137 0.91 MMP2 (0.46) MMP1ADAM17MMP2TDP1ALDH1A1
SCHEMBL23668284 0.87 MAPK1 (0.43) MMP2TDP1ALDH1A1KMT2AHSP90AA1
SCHEMBL23668274 0.85 MAPK1 (0.39) TDP1ALDH1A1KMT2AHSP90AA1MAPK1
SCHEMBL23668279 0.83 CCR5 (0.43) TDP1ALDH1A1KMT2AMAPK1MEN1
SCHEMBL18674017 0.81 STS (0.41) MMP1ADAM17MMP2ALDH1A1L3MBTL1
SCHEMBL24142105 0.81 MAPK1 (0.43) MMP2TDP1ALDH1A1KMT2AMAPK1
SCHEMBL28577303 0.81 MMP2 (0.46) MMP2TDP1ALDH1A1KMT2AMAPK1
SCHEMBL24142140 0.81 MAPK1 (0.43) MMP2TDP1ALDH1A1KMT2AMAPK1
SCHEMBL31294309 0.80 KMT2A (0.46) MMP2TDP1ALDH1A1KMT2AHSP90AA1
SCHEMBL23668288 0.79 MAPK1 (0.43) TDP1ALDH1A1KMT2AHSP90AA1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150292-A1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES API CORPORATION (JP) 2024-05-09 US disclosed
US-11897844-B2 Method for producing amino acid derivatives API CORPORATION (JP) 2024-02-13 US disclosed
US-20210403427-A1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES API CORPORATION (JP) 2021-12-30 US disclosed
EP-3854786-A1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES API Corporation (JP) 2021-07-28 EP 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 (3 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 MMP1 2921/4885ADAM17 4383/4885MMP2 3155/4885
US-20240150292-A1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES PTGS2, PTGES, PTGS1 MMP1 3031/4885ADAM17 4395/4885MMP2 3356/4885
US-11897844-B2 Method for producing amino acid derivatives PTGS2, PTGES, PTGES2 MMP1 2921/4885ADAM17 4383/4885MMP2 3155/4885

“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.