SCHEMBL2361489

SCHEMBL2361489

CCOC(=O)c1ccccc1C(=O)N[C@@H](CS(=O)(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 7/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.42
HTT P42858 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
CDC25B P30305 1/20 0.41
PTPRC P08575 1/20 0.41
PTPRF P10586 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPA Q15257 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL2361487 1.00 TSHR (0.53) TSHRKMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL2331230 0.88 CA1 (0.42) TSHRKMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL2331224 0.88 CA1 (0.42) TSHRKMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL2326902 0.88 TSHR (0.50) TSHRKMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL12984327 0.87 TSHR (0.58) TSHRKMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL2329749 0.83 KCNA5 (0.39) TSHRKMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL2329741 0.83 KCNA5 (0.39) TSHRKMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL2327355 0.83 ITGB1 (0.41) KMT2AKDM4EHSD17B10ALDH1A1MAPK1
SCHEMBL2327347 0.83 ITGB1 (0.41) KMT2AKDM4EHSD17B10ALDH1A1MAPK1
SCHEMBL13583261 0.83 L3MBTL1 (0.48) ALDH1A1POLBHTTHPGDSMN1; SMN2

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 TSHR 2600/4885KMT2A 3153/4885KDM4E 965/4885

“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.