SCHEMBL2327136

SCHEMBL2327136

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.50
EPHX2 P34913 1/20 0.47
KMT2A Q03164 2/20 0.47
USP30 Q70CQ3 1/20 0.46
PSMB5 P28074 1/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
OPRK1 P41145 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
GRM4 Q14833 1/20 0.44
PTGS1 P23219 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL2327130 1.00 PTGS2 (0.50) PTGS2EPHX2KMT2AUSP30PSMB5
SCHEMBL2329883 0.86 EPHX2 (0.48) PTGS2EPHX2KMT2AUSP30PSMB5
SCHEMBL27900720 0.85 PTGS2 (0.51) PTGS2EPHX2KMT2AUSP30PSMB5
SCHEMBL12984806 0.85 PTGS2 (0.51) PTGS2EPHX2KMT2AUSP30PSMB5
SCHEMBL8130992 0.81 KDM4E (0.52) EPHX2KMT2APSMB5LMNAKDM4E
SCHEMBL8861463 0.81 EPHX2 (0.50) PTGS2EPHX2KMT2APSMB5LMNA
SCHEMBL27883399 0.81 EPHX2 (0.50) PTGS2EPHX2KMT2APSMB5LMNA
SCHEMBL31445160 0.81 KDM4E (0.52) EPHX2KMT2APSMB5LMNAKDM4E
SCHEMBL13583822 0.80 CTSA (0.44) LMNA
SCHEMBL13583823 0.80 CTSA (0.44) LMNA

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 9 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-2524686-B1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT POLA CHEM IND INC (JP) 2017-06-21 EP disclosed
EP-3173063-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2017-05-31 EP disclosed
US-9066914-B2 Prophylactic or ameliorating agent for pigmentation POLA CHEMICAL INDUSTRIES INC. (JP) 2015-06-30 US disclosed
US-8835498-B2 Anti-wrinkle agents POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-16 US disclosed
EP-2524686-A1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT Pola Chemical Industries Inc. (JP) 2012-11-21 EP disclosed
US-20120282203-A1 PROPHYLACTIC OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2012-11-08 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 (2 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-20120282203-A1 PROPHYLACTIC OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, NQO1 PTGS2 1084/4885EPHX2 3284/4885KMT2A 1659/4885
US-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 PTGS2 1343/4885EPHX2 3671/4885KMT2A 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.