Butane

Butane

SCHEMBL7565121

CCCC.CCOC(O[PH](=O)O)c1nccs1

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSA P10619 7/20 0.34
PKM P14618 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
FDPS P14324 1/20 0.31
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
ADAM17 P78536 1/20 0.30
PLA2G4A P47712 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL7567730 0.80 ALDH1A1 (0.37) CTSAPKMALDH1A1SMN1; SMN2FDPS
SCHEMBL13711978 0.71 PKM (0.38) CTSAPKMALDH1A1SMN1; SMN2FDPS
SCHEMBL7565127 0.69 TSHR (0.37) CTSAPKMALDH1A1SMN1; SMN2FDPS
Butane SCHEMBL9371867 0.63 LMNA (0.37) L3MBTL1SMN1; SMN2LMNANPC1HTT
SCHEMBL11199782 0.63 ALDH1A1 (0.51) CTSAPKMALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL29010213 0.63 ALDH1A1 (0.41) CTSAPKMALDH1A1SMN1; SMN2LMNA
SCHEMBL7275386 0.62 CYP1A2 (0.38) CTSAPKMALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7269068 0.61
SCHEMBL7269074 0.61
SCHEMBL12193817 0.61 FBP1 (0.37) CTSAALDH1A1SMN1; SMN2LMNASLC6A2

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
US-20020058665-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors ASTRAZENECA UK LIMITED 2002-05-16 US disclosed
US-20020052376-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors ASTRAZENECA UK LIMITED 2002-05-02 US disclosed
US-6342765-B1 COMPOUNDS THAT INHIBIT FARNESYLATION OF MUTANT RAS GENE PRODUCTS; TREATING DISEASES, ESPECIALLY CANCER, WHICH ARE MEDIATED THROUGH FARNESYLATION OF RAS ASTRAZENECA UK LIMITED (GB) 2002-01-29 US disclosed
EP-1025088-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA AB (SE) 2001-09-05 EP disclosed
EP-1025088-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-08-09 EP disclosed
WO-1999020611-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ZENECA LIMITED (GB) 1999-04-29 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 (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-20020058665-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors FNTA, FNTB, RABGGTA CTSA 3757/4885PKM 3521/4885ALDH1A1 1072/4885
US-20020052376-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors FNTA, FNTB, RABGGTA CTSA 3756/4885PKM 3207/4885ALDH1A1 1016/4885

“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.