SCHEMBL17136141

SCHEMBL17136141

CCC(CSC#N)(CSC#N)CSC#N

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL9680237 0.85 ALDH1A1 (0.32) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL9536619 0.79 ALDH1A1 (0.35) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL11956971 0.78
SCHEMBL767312 0.65
Water SCHEMBL27581439 0.65 ALDH1A1 (0.50) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL7733607 0.65 ALDH1A1 (0.42) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL1103925 0.63
Iodide SCHEMBL29779712 0.63
Ammonia Solution, Strong SCHEMBL11815178 0.63
SCHEMBL8855601 0.61

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-9427483-B2 Radioisotope trithiol complexes THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2016-08-30 US disclosed
US-20150283274-A1 RADIOISOTOPE TRITHIOL COMPLEXES THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-10-08 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 (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-20150283274-A1 RADIOISOTOPE TRITHIOL COMPLEXES ICMT, QTRT1, QPCT ALDH1A1 3924/4885TP53 2637/4885HPGD 3630/4885

“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.