Sugi Predict

Sugi Predict / Compounds / SCHEMBL4617192

SCHEMBL4617192

SCHEMBL4617192

Cc1ccc([S+]([O-])c2ccc(CBr)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ AGXT P21549 2/20 0.34
▸ ACHE P22303 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL29037426 0.89 TRPA1 (0.43) ALDH1A1TRPA1TSHRCES2CES1
SCHEMBL5734655 0.82 IDO1 (0.52) IDO1ALDH1A1TRPA1TSHRCYP1A2
SCHEMBL4401131 0.82 ACHE (0.50) IDO1ALDH1A1TSHRCYP2A6ACHE
SCHEMBL235851 0.82 ACHE (0.50) IDO1ALDH1A1TSHRCYP2A6ACHE
SCHEMBL121442 0.82 — —
SCHEMBL9502154 0.81 TRPA1 (0.54) ALDH1A1TRPA1TSHRTDP1CES2
SCHEMBL20302436 0.79 IDO1 (0.50) IDO1ALDH1A1TRPA1TSHRCYP1A2
SCHEMBL11030165 0.79 IDO1 (0.50) IDO1ALDH1A1TRPA1TSHRCYP1A2
SCHEMBL21259150 0.78 CYP1A2 (0.43) IDO1ALDH1A1CYP1A2CYP2A6TAAR1
SCHEMBL1940530 0.76 TRPA1 (0.40) ALDH1A1TRPA1TSHRCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives H. LUNDBECK A/S (DK) 2008-06-12 — — US disclosed
US-7329656-B2 Arylthiobenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2008-02-12 — — US disclosed
EP-1799223-A4 ARYLTHIOBENZYLPIPERIDINE DERIVATES LUNDBECK & CO AS H (DK) 2008-01-23 — — EP disclosed
EP-1799223-A2 ARYLTHIOBENZYLPIPERIDINE DERIVATES H.Lundbeck A/S (DK) 2007-06-27 — — EP disclosed
WO-2006041635-A2 ARYLTHIOBENZYLPIPERIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-04-20 — — WO disclosed
US-20060079683-A1 Arylthiobenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2006-04-13 — — US disclosed
US-20060079523-A1 N-[3-(1-{[4-(4-fluorophenylthio)phenyl]methyl}(4-piperidyl))-4-methylphenyl]-2-methylpropanamide; melatonin-concentrating hormone (MCH1) receptor ligand; antidepressant, anxiolytic, antidiabetic agent H. LUNDBECK A/S 2006-04-13 — — 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 (3 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-20060079523-A1 N-[3-(1-{[4-(4-fluorophenylthio)phenyl]methyl}(4-piperidyl))-4-methylphenyl]-2-methylpropanamide; melatonin-concentrating hormone (MCH1) receptor ligand; antidepressant, anxiolytic, antidiabetic agent MCHR1, MTNR1A, MTNR1B IDO1 43/4885ALDH1A1 404/4885TRPA1 921/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 IDO1 41/4885ALDH1A1 332/4885TRPA1 236/4885
US-20060079683-A1 Arylthiobenzylpiperidine derivatives MCHR1, MC4R, MCHR2 IDO1 38/4885ALDH1A1 319/4885TRPA1 237/4885

“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.