SCHEMBL2326317

SCHEMBL2326317

O=C(Cc1cccc2ccccc12)N[C@@H](CCS(=O)(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.52
FOLH1 Q04609 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 4/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
PTGER4 P35408 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 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
SCHEMBL2330434 0.88 FOLH1 (0.48) PIN1FOLH1MMEACECPA1
SCHEMBL9852754 0.84 PIN1 (0.57) PIN1TDP1KDM4EHPGDMEN1
SCHEMBL24130549 0.82 PIN1 (0.55) PIN1TDP1KDM4EHPGDALDH1A1
SCHEMBL22129673 0.81 HRH4 (0.57) PIN1TDP1KDM4EHPGDMEN1
SCHEMBL4954937 0.81 TDP1 (0.58) PIN1FOLH1TDP1KDM4EHPGD
SCHEMBL22129672 0.81 HRH4 (0.57) PIN1TDP1KDM4EHPGDMEN1
SCHEMBL1514490 0.81 TDP1 (0.58) PIN1FOLH1TDP1KDM4EHPGD
SCHEMBL22129752 0.81 FOLH1 (0.55) PIN1FOLH1TDP1KDM4EHPGD
SCHEMBL22129751 0.81 FOLH1 (0.55) PIN1FOLH1TDP1KDM4EHPGD
SCHEMBL2326606 0.80 POLB (0.52) HPGDALDH1A1MEN1KMT2A

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 PIN1 4686/4885FOLH1 4850/4885TDP1 878/4885

“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.