SCHEMBL2323969

SCHEMBL2323969

O=C(Cc1ccccc1)NC(CCS)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.55
POLB P06746 1/20 0.53
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
KMT2A Q03164 2/20 0.49
PSMB8 P28062 1/20 0.49
PSMB5 P28074 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
CNR1 P21554 1/20 0.48

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
SCHEMBL2323966 1.00 CNR2 (0.55) CNR2POLBCTSLCTSBCTSS
SCHEMBL1499948 0.87 CNR2 (0.57) CNR2POLBCTSLCTSBCTSS
SCHEMBL3448804 0.87 CNR2 (0.57) CNR2POLBCTSLCTSBCTSS
SCHEMBL1499949 0.87 CNR2 (0.57) CNR2POLBCTSLCTSBCTSS
Water SCHEMBL9837507 0.85 CNR2 (0.56) CNR2POLBCTSLCTSBCTSS
SCHEMBL17458667 0.85 CNR2 (0.57) CNR2POLBCTSLCTSBCTSS
SCHEMBL7096702 0.85 CNR2 (0.57) CNR2POLBCTSLCTSBCTSS
SCHEMBL16114852 0.84 POLB (0.69) CNR2POLBCTSLCTSBCTSS
SCHEMBL16115188 0.84 POLB (0.69) CNR2POLBCTSLCTSBCTSS
SCHEMBL6567538 0.84 NAALAD2 (0.66) CNR2POLBKMT2AMEN1HDAC8

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 6 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
CN-102215812-B Anti-wrinkle agents POLA CHEM IND INC 2014-09-10 CN 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 CNR2 1779/4885POLB 1044/4885CTSL 4446/4885

“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.