SCHEMBL2597016

SCHEMBL2597016

CC(CCCCCCCCCCCCCCS)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.53
BLM P54132 1/20 0.52
FOLH1 Q04609 5/20 0.52
LTA4H P09960 1/20 0.52
GABRR1 P24046 2/20 0.48
CYP1A2 P05177 1/20 0.48
TBXAS1 P24557 2/20 0.45
ENPEP Q07075 2/20 0.42
CPB2 Q96IY4 1/20 0.39

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
SCHEMBL5403291 0.91
SCHEMBL20612872 0.88 ACE2 (0.64) ACE2BLMLTA4HGABRR1CYP1A2
SCHEMBL9001608 0.88 ACE2 (0.64) ACE2BLMLTA4HGABRR1CYP1A2
SCHEMBL5977939 0.88 ACE2 (0.64) ACE2BLMLTA4HGABRR1CYP1A2
SCHEMBL31073666 0.88 ACE2 (0.64) ACE2BLMLTA4HGABRR1CYP1A2
Ammonia Solution, Strong SCHEMBL28565415 0.85 ACE2 (0.61) ACE2BLMLTA4HGABRR1CYP1A2
Ammonia Solution, Strong SCHEMBL28565414 0.85 ACE2 (0.61) ACE2BLMLTA4HGABRR1CYP1A2
SCHEMBL16330413 0.85 BLM (0.65) ACE2BLMLTA4HGABRR1CYP1A2
SCHEMBL7179523 0.85 BLM (0.65) ACE2BLMLTA4HGABRR1CYP1A2
Ammonia Solution, Strong SCHEMBL28206746 0.83 BLM (0.62) ACE2BLMLTA4HGABRR1CYP1A2

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-10010629-B2 Compositions and methods for in vivo imaging THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-03 US disclosed
US-20150343094-A1 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-12-03 US disclosed
WO-2011146390-A2 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-24 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-20150343094-A1 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING PLIN3, SGMS1, SGMS2 ACE2 3360/4885BLM 675/4885FOLH1 556/4885
US-10010629-B2 Compositions and methods for in vivo imaging PLIN3, SGMS1, SGMS2 ACE2 3360/4885BLM 675/4885FOLH1 556/4885

“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.