SCHEMBL2331177

SCHEMBL2331177

CCOC(=O)[C@@H](CS)NCC(=O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.44
KDR P35968 1/20 0.41
PPID Q08752 1/20 0.41
PIN1 Q13526 1/20 0.39
ELANE P08246 1/20 0.39
HPRT1 P00492 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
CNR2 P34972 1/20 0.39
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL2324526 0.90 LMNA (0.40) SMN1; SMN2LMNACNR2
SCHEMBL2327906 0.89 ATM (0.44) MEN1KMT2AL3MBTL1LMNA
SCHEMBL1781525 0.83 SMN1; SMN2 (0.49) MMP8PPIDPIN1MEN1KMT2A
SCHEMBL1780144 0.83 SMN1; SMN2 (0.49) MMP8PPIDPIN1MEN1KMT2A
SCHEMBL28186906 0.83 SMN1; SMN2 (0.49) MMP8PPIDPIN1MEN1KMT2A
SCHEMBL2327423 0.83 CPA3 (0.45)
Hydrochloric Acid SCHEMBL3366422 0.82 SMN1; SMN2 (0.48) MMP8PPIDPIN1MEN1KMT2A
Hydrochloric Acid SCHEMBL7323482 0.82 SMN1; SMN2 (0.48) MMP8PPIDPIN1MEN1KMT2A
SCHEMBL2327658 0.81 KMT2A (0.54) MMP8KDRPIN1MEN1KMT2A
SCHEMBL17619379 0.81 CNR2 (0.52) MEN1KMT2ASMN1; SMN2CNR2TP53

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 MMP8 1715/4885KDR 4813/4885PPID 4725/4885

“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.