SCHEMBL658659

SCHEMBL658659

CCCC[Sn](CCCC)(CCCC)c1csc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.41
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
SLC6A4 P31645 2/20 0.38
DRD2 P14416 1/20 0.38
PKM P14618 1/20 0.35
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
CHRNA7 P36544 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL13505903 0.73 GPR35 (0.35)
SCHEMBL8502218 0.72 MAPT (0.48) CYP2A6MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL1453289 0.70 HTR1B (0.40) CYP2A6ALDH1A1SMN1; SMN2SLC6A4GAA
SCHEMBL3789614 0.70 CYP2A6 (0.58) CYP2A6MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL1453412 0.70 ALDH1A1 (0.31) CYP2A6MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL368354 0.69 CYP2A6 (0.56) CYP2A6MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL9347729 0.68 CYP2A6 (0.55) CYP2A6MAPTALDH1A1SMN1; SMN2SLC6A4
SCHEMBL9347766 0.68 CYP2A6 (0.55) CYP2A6MAPTALDH1A1SMN1; SMN2SLC6A4
SCHEMBL1028769 0.68
SCHEMBL6036190 0.67 ALDH1A1 (0.33) ALDH1A1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046350-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-23 US disclosed
EP-1558572-B1 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-30 EP disclosed
EP-1558571-B1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-02 EP disclosed
US-7709528-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-05-04 US disclosed
US-20060287393-A1 Novel compounds, their preparation and use NOVO NORDISK A/S (DK) 2006-12-21 US disclosed
US-7129268-B2 Peroxisome proliferator activated receptor-active arylene acetic acid derivatives NOVO NORDISK A/S (DK) 2006-10-31 US disclosed
EP-1558572-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2005-08-03 EP disclosed
EP-1558571-A1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES NOVO NORDISK A/S (DK) 2005-08-03 EP disclosed
US-20050080115-A1 Novel compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-04-14 US disclosed
US-20050070583-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2005-03-31 US disclosed
WO-2004037775-A1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES NOVO NORDISK A/S (DK) 2004-05-06 WO disclosed
WO-2004037776-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2004-05-06 WO disclosed
US-5276024-A 3-substituted cephalosporins, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
EP-0487996-A2 Cephalosporins substituted in position 3, process for their preparation and their use as medicine BAYER AG (DE) 1992-06-03 EP 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 (4 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-20060287393-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA CYP2A6 295/4885MAPT 3498/4885ALDH1A1 862/4885
US-20050070583-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA CYP2A6 295/4885MAPT 3498/4885ALDH1A1 862/4885
US-20050080115-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA CYP2A6 295/4885MAPT 3498/4885ALDH1A1 862/4885
US-20120046350-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE PPARG, PPARD, PPARA CYP2A6 295/4885MAPT 3498/4885ALDH1A1 862/4885

“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.