Butane

Butane

SCHEMBL4877550

CCCC.O=C(O)C(Br)CCC(Br)C(=O)O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.67
PPARD Q03181 1/20 0.67
ZDHHC20 Q5W0Z9 1/20 0.67
ZDHHC2 Q9UIJ5 1/20 0.67
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
CHRM1 P11229 1/20 0.48
AKR1A1 P14550 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA2 P00918 1/20 0.41
MAPK1 P28482 1/20 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
SCHEMBL287910 0.89
SCHEMBL1732518 0.89
SCHEMBL1732573 0.89
SCHEMBL5965619 0.88 ALDH1A1 (0.61) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL2776377 0.88 ALDH1A1 (0.61) LCKPPARDZDHHC20ZDHHC2ALDH1A1
Bromide SCHEMBL20957500 0.86
Ammonia Solution, Strong SCHEMBL28064043 0.86
Hydrochloric Acid SCHEMBL18580777 0.86
SCHEMBL28087029 0.86
SCHEMBL140785 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 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 (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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 LCK 2952/4885PPARD 49/4885ZDHHC20 1988/4885

“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.