SCHEMBL2330641

SCHEMBL2330641

O=C(N[C@@H](CS(=O)(=O)O)C(=O)O)c1cccc(Cl)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
TAS1R2 Q8TE23 1/20 0.58
ITGB1 P05556 5/20 0.47
ITGA4 P13612 5/20 0.47
PSMB5 P28074 1/20 0.46
GPR139 Q6DWJ6 1/20 0.45
P2RX7 Q99572 2/20 0.45
TSHR P16473 1/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
ITGAV P06756 2/20 0.44
PYGL P06737 2/20 0.42
JAK2 O60674 1/20 0.42
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 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
SCHEMBL2330637 1.00 TAS1R3 (0.58) TAS1R3TAS1R1TAS1R2ITGB1ITGA4
SCHEMBL2330845 0.89 ITGB1 (0.47) ITGB1ITGA4GPR139ITGAVPYGL
SCHEMBL2330851 0.89 ITGB1 (0.47) ITGB1ITGA4GPR139ITGAVPYGL
SCHEMBL2328471 0.87 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2ITGB1ITGA4
SCHEMBL13583833 0.84 ITGB1 (0.44) TAS1R3TAS1R1TAS1R2ITGB1ITGA4
SCHEMBL13583835 0.84 ITGB1 (0.44) TAS1R3TAS1R1TAS1R2ITGB1ITGA4
SCHEMBL2328455 0.80 KMT2A (0.44)
SCHEMBL2328462 0.80 KMT2A (0.44)
SCHEMBL8131022 0.80 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2ITGB1ITGA4
SCHEMBL2324854 0.79 KDM4E (0.50) TSHR

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 809/4885TAS1R2 1173/4885

“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.