SCHEMBL17070893

SCHEMBL17070893

CC#CCCN1CCN(CCS(=O)(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL14414885 0.80 PTGS1 (0.39) ALDH1A1POLB
SCHEMBL63679 0.80 PTGS1 (0.39) ALDH1A1POLB
SCHEMBL2403909 0.80
SCHEMBL789961 0.80 PTGS1 (0.39) ALDH1A1POLB
SCHEMBL9391152 0.78 PTGS1 (0.35) ALDH1A1L3MBTL1
SCHEMBL8343269 0.78 PTGS1 (0.35) ALDH1A1L3MBTL1
Propane SCHEMBL28199390 0.78 PTGS1 (0.35) ALDH1A1L3MBTL1
SCHEMBL25336178 0.78 PTGS1 (0.38) ALDH1A1L3MBTL1POLB
SCHEMBL8463674 0.78 PTGS1 (0.38) ALDH1A1L3MBTL1POLB
Ammonia Solution, Strong SCHEMBL9351921 0.78 PTGS1 (0.38) ALDH1A1L3MBTL1POLB

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-10005793-B2 Bodipy dyes for biological imaging THE GENERAL HOSPITAL CORPORATION (US) 2018-06-26 US disclosed
US-20150252061-A1 BODIPY DYES FOR BIOLOGICAL IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2015-09-10 US 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-10005793-B2 Bodipy dyes for biological imaging DBI, SLCO1B1, BCR ALDH1A1 1141/4885PKM 2322/4885L3MBTL1 527/4885
US-20150252061-A1 BODIPY DYES FOR BIOLOGICAL IMAGING BOD1L1, BRI3BP, BMX ALDH1A1 307/4885PKM 3139/4885L3MBTL1 177/4885

“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.