SCHEMBL2329883

SCHEMBL2329883

O=C(N[C@@H](CCS(=O)(=O)O)C(=O)O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
PTGS2 P35354 2/20 0.48
KMT2A Q03164 1/20 0.45
USP30 Q70CQ3 2/20 0.44
PSMB5 P28074 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
OPRK1 P41145 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CTSK P43235 1/20 0.43
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
GRM4 Q14833 1/20 0.42
PTGS1 P23219 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL2327136 0.86 PTGS2 (0.50) EPHX2PTGS2KMT2AUSP30PSMB5
SCHEMBL2327130 0.86 PTGS2 (0.50) EPHX2PTGS2KMT2AUSP30PSMB5
SCHEMBL27900720 0.83 PTGS2 (0.51) EPHX2PTGS2KMT2AUSP30PSMB5
SCHEMBL12984806 0.83 PTGS2 (0.51) EPHX2PTGS2KMT2AUSP30PSMB5
SCHEMBL1605388 0.82 NAALAD2 (0.52) EPHX2KMT2AKDM4EHTTSMN1; SMN2
SCHEMBL14729264 0.82 NAALAD2 (0.52) EPHX2KMT2AKDM4EHTTSMN1; SMN2
SCHEMBL8177757 0.81 SMN1; SMN2 (0.60) EPHX2KMT2ASMN1; SMN2CTSK
SCHEMBL2327505 0.80 CA2 (0.52) TDP1
SCHEMBL27883413 0.80 KMT2A (0.53) EPHX2KMT2APSMB5LMNAKDM4E
SCHEMBL27883407 0.80 KMT2A (0.53) EPHX2KMT2APSMB5LMNAKDM4E

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
EP-2356979-B1 ANTI-WRINKLE AGENTS POLA CHEM IND INC (JP) 2017-10-25 EP disclosed
EP-3173063-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2017-05-31 EP disclosed
US-8835498-B2 Anti-wrinkle agents POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-16 US disclosed
US-20110245343-A1 ANTI-WRINKLE AGENTS POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US disclosed
EP-2356979-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2011-08-17 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 (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-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 EPHX2 3671/4885PTGS2 1343/4885KMT2A 3153/4885

“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.