SCHEMBL6147045

SCHEMBL6147045

CCCCCC(C(=O)N(C)OC)c1ccc2c(c1)C(SC)(SC)CCO2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
AKR1B1 P15121 1/20 0.30
FAAH O00519 1/20 0.30
CXCR3 P49682 2/20 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
SCHEMBL6144484 0.85 PTGS1 (0.36) TAS1R3TAS1R1AKR1B1
SCHEMBL6146605 0.77 MAP3K14 (0.30)
SCHEMBL6147976 0.76 UGCG (0.31)
SCHEMBL6147688 0.76 RXRA (0.40) FAAH
SCHEMBL6145974 0.75 RARB (0.43) TAS1R3TAS1R1
SCHEMBL7076116 0.74 PTGS1 (0.33) AKR1B1
SCHEMBL6143955 0.74 RXRA (0.42) FAAH
SCHEMBL6146889 0.74 RARA (0.38) TAS1R3TAS1R1
SCHEMBL6146589 0.73 RARA (0.41)
SCHEMBL6144565 0.73 CYP26A1 (0.46)

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
EP-1280757-B1 NEW GAMMA SELECTIVE RETINOIDS HOFFMANN LA ROCHE (CH) 2005-08-17 EP disclosed
US-6603012-B2 RAR selective retinoid agonists HOFFMANN-LA ROCHE INC. 2003-08-05 US disclosed
EP-1280757-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-05 EP disclosed
US-20020026060-A1 RAR selective retinoid agonists F.HOFFMANN-LA ROCHE AG (CH) 2002-02-28 US disclosed
WO-2001083438-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 WO 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-20020026060-A1 RAR selective retinoid agonists RARA, RARG, RARB TAS1R3 200/4885TAS1R1 204/4885AKR1B1 863/4885

“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.