SCHEMBL7101292

SCHEMBL7101292

COc1ccc(S(=O)(=O)N(c2cccc(N(S(=O)(=O)c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3cc(Cl)cc(Cl)c3)c2)S(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.46
KEAP1 Q14145 1/20 0.46
ALDH1A1 P00352 3/20 0.45
USP2 O75604 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
TP53 P04637 3/20 0.44
MAPT P10636 3/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
THRB P10828 1/20 0.43
ESR1 P03372 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AHR P35869 1/20 0.42

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
SCHEMBL7098960 0.95 TP53 (0.50) ALDH1A1FFAR4TP53NPSR1
SCHEMBL7101079 0.83 TP53 (0.44) ALDH1A1FFAR4TP53NPSR1
SCHEMBL7518536 0.79 TP53 (0.41) ALDH1A1FFAR4TP53MAPTNPSR1
SCHEMBL7513281 0.79 HTR2C (0.47) PGRALDH1A1MEN1HTTKMT2A
SCHEMBL7512445 0.78 ALDH1A1 (0.53) ALDH1A1TP53MAPTMEN1KMT2A
SCHEMBL7518541 0.78 ALDH1A1 (0.55) ALDH1A1USP2TP53MAPTMEN1
SCHEMBL7517997 0.73 S1PR1 (0.44) PGRALDH1A1MAPTMEN1HTT
SCHEMBL6465065 0.70 TP53 (0.54) KEAP1ALDH1A1USP2TP53MAPT
SCHEMBL1629157 0.69 KEAP1 (0.70) KEAP1
SCHEMBL7522385 0.69 S1PR1 (0.40) PGRALDH1A1USP2MAPTMEN1

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 3 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

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 PGR 1977/4885KEAP1 1730/4885ALDH1A1 1905/4885

“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.