SCHEMBL17022181

SCHEMBL17022181

C[C@H](CCCCO)CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.34

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
SCHEMBL12587156 0.83 TRPA1 (0.41) TRPA1
SCHEMBL13916921 0.83 TRPA1 (0.41) TRPA1
SCHEMBL12284775 0.81 TSHR (0.39) TRPA1
SCHEMBL12503470 0.80 GRIN1 (0.33) TRPA1
SCHEMBL8466135 0.79 TRPA1 (0.36) TRPA1
SCHEMBL8454747 0.79 ESR2 (0.32) TRPA1
SCHEMBL17019835 0.78 TRPA1 (0.31) TRPA1
SCHEMBL9977661 0.78 TRPA1 (0.31) TRPA1
SCHEMBL16845038 0.78 LMNA (0.37) —
SCHEMBL8482393 0.78 SIGMAR1 (0.33) —

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-9273067-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 — — US disclosed
WO-2015126737-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 — — WO disclosed
US-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 — — 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-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication TYMP, EIF2AK2, MAVS TRPA1 4809/4885

“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.

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