SCHEMBL5505068

SCHEMBL5505068

Cc1c(Cl)ccc(Oc2cc(S(=O)(=O)N3CCCC3)ccc2CCN)c1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TSHR P16473 3/20 0.51
MCOLN3 Q8TDD5 2/20 0.51
HTT P42858 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GPBAR1 Q8TDU6 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 3/20 0.43
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL5505063 0.85 ALDH1A1 (0.51) ALDH1A1TSHRMCOLN3HTTSMN1; SMN2
SCHEMBL5497370 0.84 SOS1 (0.41) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5502216 0.76 SLC6A4 (0.42)
SCHEMBL5502051 0.75 SOS1 (0.44) ALDH1A1TSHRKMT2ALMNAMEN1
SCHEMBL5497523 0.74 HTR2A (0.43) ALDH1A1L3MBTL1MAPK1
SCHEMBL6000097 0.73 HTR1D (0.36)
SCHEMBL6000320 0.73 TAAR1 (0.34) ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL6000440 0.72 HTR1D (0.39) KDM4E
SCHEMBL5497104 0.72 SOS1 (0.38) L3MBTL1
SCHEMBL5502917 0.71 TAAR1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791807-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS Pfizer Products Incorporated (US) 2007-06-06 EP claimed
WO-2006027684-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS PFIZER PRODUCTS INC. (US) 2006-03-16 WO claimed
US-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 US claimed
EP-1791807-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS Pfizer Products Incorporated (US) 2007-06-06 EP disclosed
WO-2006027684-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS PFIZER PRODUCTS INC. (US) 2006-03-16 WO disclosed
US-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 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-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B ALDH1A1 997/4885TSHR 1141/4885MCOLN3 3744/4885

“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.