Butane

Butane

SCHEMBL4422381

CCCC.O=[PH](O)Oc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 11/20 0.49
▸ NR1H3 Q13133 11/20 0.49
▸ LMNA P02545 1/20 0.43
▸ MLYCD O95822 5/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41

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
Butane SCHEMBL4325616 0.80 SMN1; SMN2 (0.46) LMNASMN1; SMN2
SCHEMBL19391971 0.76 KIF11 (0.46) —
Butane SCHEMBL1339345 0.74 CA1 (0.44) —
Butane SCHEMBL4420291 0.73 NR1H2 (0.46) NR1H2NR1H3LMNAMLYCDSMN1; SMN2
SCHEMBL17110496 0.72 SMN1; SMN2 (0.47) LMNASMN1; SMN2
Butane SCHEMBL976220 0.72 LTA4H (0.38) LMNA
SCHEMBL13059563 0.71 ELANE (0.47) NR1H2NR1H3LMNAMLYCDSMN1; SMN2
SCHEMBL28437311 0.71 SMN1; SMN2 (0.46) LMNASMN1; SMN2
SCHEMBL28854180 0.71 SMN1; SMN2 (0.46) LMNASMN1; SMN2
SCHEMBL15849787 0.71 MEN1 (0.30) —

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
JP-4267920-B2 — — 2009-05-27 — — JP claimed
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-03-20 — — US claimed
US-7279477-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-09 — — US claimed
JP-2004523542-A — — 2004-08-05 — — JP claimed
US-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-01 — — US claimed
EP-1377290-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-07 — — EP claimed
WO-2002064136-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-22 — — WO claimed

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-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ACACA, ME1 NR1H2 1305/4885NR1H3 1471/4885LMNA 3741/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA NR1H2 1233/4885NR1H3 1405/4885LMNA 3668/4885

“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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