SCHEMBL2329913

SCHEMBL2329913

CCCc1ccccc1C(=O)N[C@H](CS)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
FNTA P49354 4/20 0.40
FNTB P49356 4/20 0.40
PGGT1B P53609 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
KDR P35968 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTT P42858 1/20 0.39
TACR3 P29371 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
FOLH1 Q04609 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
SCHEMBL12984267 0.88 CNR1 (0.48) TAS1R3TAS1R1KMT2AALDH1A1POLB
SCHEMBL12983874 0.87 TAS1R3 (0.44) TAS1R3TAS1R1KMT2AALDH1A1POLB
SCHEMBL5867366 0.86 CA1 (0.45) FNTAFNTBALDH1A1LMNAKDR
SCHEMBL5867367 0.86 CA1 (0.45) FNTAFNTBALDH1A1LMNAKDR
SCHEMBL12308216 0.84 FNTA (0.43) FNTAFNTBPGGT1BKMT2AALDH1A1
SCHEMBL12308190 0.82 KMT2A (0.53) FNTAFNTBPGGT1BKMT2AALDH1A1
SCHEMBL2329466 0.81 FNTA (0.41) TAS1R3TAS1R1FNTAFNTBPGGT1B
SCHEMBL3422768 0.81 LMNA (0.54) FNTAFNTBPGGT1BKMT2AALDH1A1
SCHEMBL3422770 0.81 LMNA (0.54) FNTAFNTBPGGT1BKMT2AALDH1A1
SCHEMBL30059085 0.81 KDM4E (0.46) FNTAFNTBPGGT1BKMT2AALDH1A1

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 TAS1R3 746/4885TAS1R1 809/4885FNTA 4644/4885

“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.