SCHEMBL6584494

SCHEMBL6584494

C[C@H](NC(=O)Nc1ccccc1S(=O)(=O)c1ccccc1)C(=O)Oc1ccc(NCc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
NAMPT P43490 6/20 0.39
RXFP1 Q9HBX9 1/20 0.38
ADRA2B P18089 1/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OXTR P30559 1/20 0.36

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
SCHEMBL5259695 0.84 CA12 (0.52) MEN1KMT2AALDH1A1
SCHEMBL5259690 0.84 CA12 (0.52) MEN1KMT2AALDH1A1
SCHEMBL5260861 0.81 FPR2 (0.50) MEN1KMT2A
SCHEMBL5260856 0.81 FPR2 (0.50) MEN1KMT2A
SCHEMBL6679298 0.78 KMT2A (0.49) MAPK1NAMPTMEN1KMT2AKDM4E
SCHEMBL5265217 0.77 CA12 (0.49) NAMPTMEN1KMT2A
SCHEMBL5260865 0.77 CA12 (0.49) NAMPTMEN1KMT2A
SCHEMBL5260858 0.75 HTR6 (0.38) NAMPTMEN1KMT2ATAS1R3TAS1R1
SCHEMBL5261843 0.74 ITGA4 (0.50) NAMPTMEN1KMT2A
SCHEMBL5261838 0.74 ITGA4 (0.50) NAMPTMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2004-07-22 US claimed

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-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists ITGA4, ITGB4, ITGA1 MAPK1 1765/4885NAMPT 2196/4885RXFP1 667/4885

“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.