SCHEMBL5953914

SCHEMBL5953914

O=C(O)C(CCCS)Cc1cccc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.66
HRH4 Q9H3N8 1/20 0.52
CTNNB1 P35222 1/20 0.51
TDP1 Q9NUW8 1/20 0.47
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL7280252 0.87 CTNNB1 (0.52) FOLH1HRH4CTNNB1TDP1MME
SCHEMBL7280245 0.87 CTNNB1 (0.52) FOLH1HRH4CTNNB1TDP1MME
SCHEMBL6677809 0.85 CTNNB1 (0.63) HRH4CTNNB1TDP1MMEACE
SCHEMBL10521941 0.84 SIGMAR1 (0.53) FOLH1HRH4CTNNB1TDP1
SCHEMBL10521472 0.83 SIGMAR1 (0.52) FOLH1HRH4CTNNB1TDP1
SCHEMBL10521682 0.82 SIGMAR1 (0.51) FOLH1HRH4CTNNB1TDP1
SCHEMBL9556717 0.82 CTNNB1 (0.48) FOLH1HRH4CTNNB1TDP1MME
SCHEMBL7353938 0.82 CTNNB1 (0.48) FOLH1HRH4CTNNB1TDP1MME
SCHEMBL10521224 0.82 CTNNB1 (0.55) FOLH1HRH4CTNNB1TDP1MME
SCHEMBL5057987 0.81 FOLH1 (0.71) FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992215-B2 Thiol-based NAALADase inhibitors GUILDFORD PHARMACEUTICALS INC. (US) 2006-01-31 US claimed
US-20050085503-A1 Thiol-based NAALADase inhibitors GUILFORD PHARMACEUTICALS INC, 2005-04-21 US claimed
WO-2002057222-A9 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARM INC (US) 2004-05-06 WO claimed
EP-1353903-A2 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2003-10-22 EP claimed
WO-2002057222-A2 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2002-07-25 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-20050085503-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, FOLH1 FOLH1 3/4885HRH4 4044/4885CTNNB1 1785/4885

“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.