SCHEMBL17464883

SCHEMBL17464883

CCC(O)CC(O)(CO)CC(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32

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
SCHEMBL17467945 0.86 TSHR (0.32) TSHR
SCHEMBL14750408 0.78 TSHR (0.39) TSHR
SCHEMBL8533096 0.77 TSHR (0.33) TSHR
SCHEMBL18759606 0.74 TSHR (0.33) TSHR
SCHEMBL17464926 0.72
SCHEMBL17464861 0.70 TSHR (0.32) TSHR
SCHEMBL18759579 0.70 FDPS (0.31) TSHR
SCHEMBL4891662 0.70 TSHR (0.32) TSHR
SCHEMBL17464864 0.70 ALDH1A1 (0.31)
SCHEMBL10937538 0.69 TSHR (0.38) TSHR

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-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE SHIONOGI & CO (JP) 2017-10-19 US disclosed
US-9550763-B2 Heterocyclic ring and carbocyclic derivative SHIONOGI & CO., LTD. (JP) 2017-01-24 US disclosed
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative SHIONOGI & CO., LTD. (JP) 2016-01-28 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-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE P2RX3, P2RX7, P2RX2 TSHR 737/4885
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative P2RX3, P2RX7, P2RX2 TSHR 737/4885

“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.