SCHEMBL2326683

SCHEMBL2326683

O=C(O)[C@@H](CS)N(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.44
CTRB1 P17538 1/20 0.44
ADRA2C P18825 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
CPA3 P15088 1/20 0.40
FOLH1 Q04609 1/20 0.40
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 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
SCHEMBL2332319 0.87 MLYCD (0.42) MLYCDCTRB1ADRA2CSMN1; SMN2L3MBTL1
SCHEMBL10861618 0.84 MLYCD (0.45) MLYCDADRA2CSMN1; SMN2L3MBTL1TDP1
SCHEMBL27888110 0.84 MLYCD (0.45) MLYCDADRA2CSMN1; SMN2L3MBTL1TDP1
SCHEMBL29067590 0.83 ALDH1A1 (0.44) CTRB1SMN1; SMN2LMNAALDH1A1TP53
SCHEMBL10941926 0.82 CTRB1 (0.42) CTRB1SMN1; SMN2TDP1ALDH1A1CPA3
SCHEMBL6512684 0.82 CTRB1 (0.42) CTRB1SMN1; SMN2TDP1ALDH1A1CPA3
SCHEMBL2329911 0.81 KMT2A (0.49) SMN1; SMN2ALDH1A1FOLH1KMT2A
SCHEMBL13358895 0.80 ALDH1A1 (0.41) CTRB1ADRA2CSMN1; SMN2RAB9ALMNA
SCHEMBL2327420 0.79 CTRB1 (0.44) CTRB1SMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL2328540 0.78 NPC1 (0.46) L3MBTL1RAB9ALMNAALDH1A1TP53

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 MLYCD 4103/4885CTRB1 1503/4885ADRA2C 2901/4885

“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.