SCHEMBL5502199

SCHEMBL5502199

NCCc1ccc(Cl)cc1Oc1ccc2c(c1)CCS2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.46
HTR2A P28223 13/20 0.39
KCNH2 Q12809 12/20 0.39
SOS1 Q07889 1/20 0.38
VHL P40337 1/20 0.35
ELOC Q15369 1/20 0.35
ELOB Q15370 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2C P28335 1/20 0.34

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
Formic Acid SCHEMBL5999555 0.94 SLC6A4 (0.42) SLC6A4HTR2AKCNH2SOS1VHL
SCHEMBL5501871 0.91 SLC6A4 (0.39) SLC6A4HTR2AKCNH2SOS1VHL
Formic Acid SCHEMBL5999541 0.85 SLC6A4 (0.36) SLC6A4HTR2AKCNH2SOS1VHL
SCHEMBL5502191 0.82 SLC6A4 (0.62) SLC6A4HTR2AKCNH2
SCHEMBL5999553 0.81 SLC6A4 (0.43) SLC6A4HTR2AKCNH2VHLELOC
SCHEMBL5503447 0.79 HTR2A (0.41) SLC6A4HTR2AKCNH2SOS1LMNA
Formic Acid SCHEMBL5999552 0.77 SLC6A4 (0.55) SLC6A4HTR2AKCNH2
SCHEMBL5497556 0.77 HTR2A (0.41) SLC6A4HTR2AKCNH2SOS1MAPT
Formic Acid SCHEMBL6000548 0.76 SLC6A4 (0.43) SLC6A4HTR2AKCNH2SOS1
SCHEMBL5999972 0.76 HTR2A (0.39) SLC6A4HTR2AKCNH2SOS1

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 SLC6A4 150/4885HTR2A 7/4885KCNH2 2331/4885

“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.