SCHEMBL2328058

SCHEMBL2328058

CCOC(=O)[C@H](CCSC)NC(=O)c1ccccc1OC

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
RAB9A P51151 1/20 0.60
TAS1R3 Q7RTX0 2/20 0.56
TAS1R1 Q7RTX1 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
PPID Q08752 1/20 0.49
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CTSD P07339 1/20 0.48
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46

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
SCHEMBL2328054 1.00 KMT2A (0.62) KMT2ARAB9ATAS1R3TAS1R1L3MBTL1
SCHEMBL2326551 0.91 KMT2A (0.66) KMT2ARAB9ATAS1R3TAS1R1L3MBTL1
SCHEMBL2326548 0.91 KMT2A (0.66) KMT2ARAB9ATAS1R3TAS1R1L3MBTL1
SCHEMBL2332541 0.91 KMT2A (0.60) KMT2ARAB9ATAS1R3TAS1R1L3MBTL1
SCHEMBL2332534 0.91 KMT2A (0.60) KMT2ARAB9ATAS1R3TAS1R1L3MBTL1
SCHEMBL2323581 0.89 KMT2A (0.52) KMT2ARAB9ATAS1R3TAS1R1L3MBTL1
SCHEMBL2323583 0.89 KMT2A (0.52) KMT2ARAB9ATAS1R3TAS1R1L3MBTL1
SCHEMBL2327144 0.86 KMT2A (0.66) KMT2ARAB9AL3MBTL1HPGDALDH1A1
SCHEMBL2327147 0.86 KMT2A (0.66) KMT2ARAB9AL3MBTL1HPGDALDH1A1
SCHEMBL12984489 0.84 CTSD (0.54) KMT2ARAB9ATAS1R3TAS1R1L3MBTL1

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 KMT2A 3153/4885RAB9A 4160/4885TAS1R3 746/4885

“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.