SCHEMBL7103877

SCHEMBL7103877

O=CN(Nc1c(Cl)cccc1Cl)c1cccc(N(S(=O)(=O)c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
VCAM1 P19320 1/20 0.34
ACLY P53396 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL7522385 0.88 S1PR1 (0.40) S1PR1VCAM1ACLYCYP3A4
SCHEMBL7103725 0.78 PTPRC (0.42)
SCHEMBL7517997 0.77 S1PR1 (0.44) S1PR1VCAM1ACLY
SCHEMBL7103879 0.72 MAPT (0.50)
SCHEMBL7518536 0.72 TP53 (0.41)
SCHEMBL6836509 0.69 S1PR1 (0.33) S1PR1
SCHEMBL7513281 0.69 HTR2C (0.47) S1PR1VCAM1
SCHEMBL7101292 0.68 PGR (0.46)
SCHEMBL7518000 0.66 LMNA (0.52)
SCHEMBL7522388 0.66 MAPT (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339668-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2003-09-03 EP claimed
US-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS, INC. 2002-09-12 US claimed
WO-2002044126-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2002-06-06 WO claimed
US-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS, INC. 2002-09-12 US 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-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use PPIG, PIN1, PPIH S1PR1 4071/4885VCAM1 1999/4885ACLY 1739/4885

“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.