Butane

Butane

SCHEMBL3415656

CCC(N)C=O.CCCC

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.32
LAP3 P28838 1/20 0.31
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3589896 0.94
SCHEMBL60216 0.94
SCHEMBL3882554 0.94
Bromide SCHEMBL23306699 0.91
Hydrochloric Acid SCHEMBL4719049 0.91
Bromide SCHEMBL1487603 0.91 TSHR (0.35) TSHRSMN1; SMN2ALDH1A1LAP3MAPK1
Hydrochloric Acid SCHEMBL28026792 0.91
Trimethylammonium SCHEMBL27701357 0.86 TSHR (0.32) TSHRSMN1; SMN2
Ether SCHEMBL28078517 0.81 TSHR (0.30) TSHRSMN1; SMN2
SCHEMBL5618574 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110293745-A1 AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2011-12-01 US disclosed
EP-2265618-A2 AURORA KINASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009114856-A2 AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2009-09-17 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-20110293745-A1 AURORA KINASE INHIBITORS AURKA, AURKC, AURKB TSHR 4399/4885SMN1; SMN2 4526/4885ALDH1A1 3126/4885

“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.