SCHEMBL23668288

SCHEMBL23668288

O=C(O)[C@@H]1CC[C@@H](N(OCc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NR3C1 P04150 1/20 0.40
CCR5 P51681 3/20 0.40
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP19A1 P11511 1/20 0.37

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
SCHEMBL24141866 0.91 MAPK1 (0.45) MAPK1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL28593130 0.81 KMT2A (0.39) MAPK1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL28582343 0.80 MAPK1 (0.39) MAPK1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL23668286 0.79 MMP1 (0.43) MAPK1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL23668284 0.79 MAPK1 (0.43) MAPK1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL28571751 0.78 CCR5 (0.38) MAPK1KMT2AMEN1NR3C1CCR5
SCHEMBL28593131 0.78 MAPK1 (0.36) MAPK1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL16426208 0.77 TSHR (0.41) ALDH1A1NPC1RAB9AMAPTHTR2C
SCHEMBL23668274 0.77 MAPK1 (0.39) MAPK1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL28587250 0.77 CCR5 (0.39) MAPK1KMT2AMEN1ALDH1A1CCR5

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 5 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
CN-112930338-A Process for the preparation of amino acid derivatives 株式会社API 2021-06-08 CN 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 MAPK1 770/4885KMT2A 1086/4885MEN1 4008/4885
US-20240150292-A1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES PTGS2, PTGES, PTGS1 MAPK1 748/4885KMT2A 1072/4885MEN1 3926/4885
US-11897844-B2 Method for producing amino acid derivatives PTGS2, PTGES, PTGES2 MAPK1 770/4885KMT2A 1086/4885MEN1 4008/4885

“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.