Sugi Predict

Sugi Predict / Compounds / SCHEMBL5045835

SCHEMBL5045835

SCHEMBL5045835

COc1ccc(CCCCI)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 1/20 0.60
▸ IGF1R P08069 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ TAAR1 Q96RJ0 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MAOB P27338 2/20 0.50
▸ ALOX5 P09917 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.48
▸ AOC3 Q16853 1/20 0.48
▸ IDO1 P14902 1/20 0.48
▸ F2RL1 P55085 1/20 0.47
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47

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
SCHEMBL11401615 0.98 CALM1 (0.58) CALM1IGF1RALOX15TAAR1TDP1
SCHEMBL8862060 0.98 CALM1 (0.58) CALM1IGF1RALOX15TAAR1TDP1
SCHEMBL11552206 0.98 CALM1 (0.58) CALM1IGF1RALOX15TAAR1TDP1
SCHEMBL5168832 0.94 CALM1 (0.62) CALM1IGF1RALOX15TAAR1TDP1
SCHEMBL7549717 0.92 CALM1 (0.60) CALM1IGF1RALOX15TAAR1TDP1
SCHEMBL4254058 0.89 CALM1 (0.72) CALM1IGF1RALOX15TAAR1TDP1
SCHEMBL17400406 0.87 CALM1 (0.69) CALM1IGF1RALOX15TAAR1TDP1
SCHEMBL178692 0.87 TAAR1 (0.64) CALM1TAAR1MAOBSIGMAR1AOC3
SCHEMBL11007798 0.87 CALM1 (0.69) CALM1IGF1RALOX15TAAR1TDP1
SCHEMBL10571532 0.87 CALM1 (0.69) CALM1IGF1RALOX15TAAR1TDP1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405231-B2 Anticancer agents; inhibitors of the HER-signaling pathway with decreased toxicity, better solubility and improved pharmacokinetic profile; e.g. 1-[4-(4-(2-[(E)-2-(4-Methanesulfinyl-phenyl)-vinyl]-oxazol-4-ylmethoxy)-phenyl)-butyl]-1H-[1,2,3]triazole HOFFMANN-LA ROCHE INC. (US) 2008-07-29 — — US disclosed
US-7235574-B2 Pentafluorosulfanyl compounds HOFFMANN-LA ROCHE INC. (US) 2007-06-26 — — US disclosed
EP-1794155-A1 OXAZOLE DERIVATIVES AS HER TYROSINE KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2007-06-13 — — EP disclosed
EP-1725551-A1 OXIDIZED THIOETHER DERIVATIVES OF STYRYL-AZOLES AND THEIR USE AS HER TYROSINE KINASES INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 — — EP disclosed
EP-1725549-A1 PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 — — EP disclosed
US-20060069095-A1 Azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 — — US disclosed
WO-2006032520-A1 OXAZOLE DERIVATIVES AS HER TYROSINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 — — WO disclosed
WO-2005095388-A1 PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-13 — — WO disclosed
WO-2005095393-A1 OXIDIZED THIOETHER DERIVATIVES OF STYRYL-AZOLES AND THEIR USE AS HER TYROSINE KINASES INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-13 — — WO disclosed
US-20050203064-A1 Novel oxidized thioether derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 — — US disclosed
EP-0733044-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1997-03-05 — — EP disclosed
EP-0733044-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-09-25 — — EP disclosed
EP-0649412-A4 PHARMACEUTICAL PYRIDINE COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1995-07-05 — — EP disclosed
WO-1995015950-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-06-15 — — WO disclosed
EP-0649412-A1 PHARMACEUTICAL PYRIDINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-04-26 — — EP disclosed
WO-1994000437-A1 PHARMACEUTICAL PYRIDINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-01-06 — — WO disclosed
WO-1993022285-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-11-11 — — WO disclosed
US-4217346-A Arylalkyl and aryloxyalkyl phosphonates as antiviral agents STERLING DRUG INC. (US) 1980-08-12 — — US disclosed
US-4182759-A Arylalkyl and aryloxyalkyl phosphonates and use as antiviral agents STERLING DRUG INC. (US) 1980-01-08 — — US disclosed
US-4171378-A INSECTICIDES, VIRICIDES STERLING DRUG INC. (US) 1979-10-16 — — 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 (2 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-20050203064-A1 Novel oxidized thioether derivatives SULT1E1, CYP4F3, GPX4 CALM1 4599/4885IGF1R 2785/4885ALOX15 308/4885
US-20060069095-A1 Azole derivatives CYP3A5, CYP3A43, CYP11B1 CALM1 3295/4885IGF1R 559/4885ALOX15 1636/4885

“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.