SCHEMBL6620820

SCHEMBL6620820

CC(C)(C)CC(=O)Nc1ccccc1SCc1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ HPGD P15428 7/20 0.48
▸ ALOX12 P18054 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 2/20 0.46
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL6621607 0.87 KMT2A (0.51) KMT2AHPGDALOX12MEN1CYP1A2
SCHEMBL6621943 0.83 KMT2A (0.47) KMT2AHPGDALOX12MEN1CYP1A2
SCHEMBL6241284 0.77 KMT2A (0.58) KMT2AHPGDALOX12MEN1CYP1A2
SCHEMBL6619847 0.72 KMT2A (0.43) KMT2AHPGDMEN1CYP1A2CYP2D6
SCHEMBL6617115 0.72 GAA (0.49) KMT2AHPGDALOX12MEN1CYP1A2
SCHEMBL6619330 0.71 CETP (0.49) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL6624493 0.70 KMT2A (0.47) KMT2AHPGDMEN1CYP1A2ALDH1A1
SCHEMBL6619658 0.70 CA12 (0.42) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL6619609 0.69 CYP1A2 (0.47) KMT2AHPGDMEN1CYP1A2CYP3A4
SCHEMBL6622668 0.69 CA12 (0.40) KMT2AMEN1CYP1A2CYP3A4CYP2D6

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-6828446-B2 Sulfides such as N-(2-(((6- chloro-1,3-benzodioxol-5-yl)methyl )thio)phenyl)thiophene-2-carboxamide used for controlling metabolism of lipids and prophylaxis of diabetes, Alzheimers disease, atherosclerosis, dyslipidemia and genetic disorders PHARMACIA CORPORATION 2004-12-07 — — US claimed
EP-1463726-A2 AROMATIC THIOETHER LIVER X-RECEPTOR MODULATORS Pharmacia Corporation (US) 2004-10-06 — — EP claimed
US-20030207898-A1 Aromatic thioether liver X-receptor modulators PHARMACIA CORPORATION 2003-11-06 — — US claimed
WO-2003059874-A2 AROMATIC THIOETHER LIVER X-RECEPTOR MODULATORS PHARMACIA CORPORATION (US) 2003-07-24 — — WO claimed
US-6828446-B2 Sulfides such as N-(2-(((6- chloro-1,3-benzodioxol-5-yl)methyl )thio)phenyl)thiophene-2-carboxamide used for controlling metabolism of lipids and prophylaxis of diabetes, Alzheimers disease, atherosclerosis, dyslipidemia and genetic disorders PHARMACIA CORPORATION 2004-12-07 — — 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-20030207898-A1 Aromatic thioether liver X-receptor modulators NR1H2, NR1H3, NR1H4 KMT2A 1719/4885HPGD 2179/4885ALOX12 1240/4885

“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.

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