Butane

Butane

SCHEMBL6001783

CCCC.NC(=O)c1cc(O)cc(O)c1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
CA5A P35218 1/20 0.50
PARP1 P09874 1/20 0.48
TSHR P16473 2/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
APAF1 O14727 1/20 0.42
RGS12 O14924 1/20 0.42
HSP90AA1 P07900 1/20 0.42
FASN P49327 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL441865 0.88 PARP1 (0.58) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL31548602 0.85 PARP1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL1807480 0.83 PARP1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL25159913 0.77 PARP1 (0.52) CA12CA1CA2CA7CA9
Resorcinol SCHEMBL8376233 0.77 PARP1 (0.79) CA12CA1CA2CA7CA9
Butane SCHEMBL28233321 0.77 PARP10 (0.61) CA12CA1CA2CA7CA9
SCHEMBL13917960 0.77 HCAR1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL6093793 0.74 PARP1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1804171 0.74 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL6172739 0.73 PARP1 (0.48) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP disclosed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP disclosed
US-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors SUGEN, INC. 2004-07-15 US disclosed
US-6596772-B1 Relates to trifluoromethyl sulfonyl and trifluoromethyl sulfonamido compounds and the physiologically acceptable salts and the prodrugs thereof. These compounds are expected to modulate the activity of protein tyrosine enzymes which are SUGEN, INC. 2003-07-22 US disclosed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP disclosed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 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-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors PPP4C, PTPRO, PTPRS CA12 2513/4885CA1 833/4885CA2 283/4885

“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.