SCHEMBL18237752

SCHEMBL18237752

CC(C)c1nc2c(s1)CCSC2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.33
PARP1 P09874 1/20 0.30
PARP15 Q460N3 1/20 0.30
PARP3 Q9Y6F1 1/20 0.30

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
SCHEMBL24805722 0.78 GRM5 (0.36) GRM5
SCHEMBL2664923 0.75 PDK1 (0.48) GRM5
SCHEMBL19153387 0.75 PARP1 (0.36) PARP1PARP15PARP3
SCHEMBL12128965 0.75 PDK1 (0.48) GRM5
SCHEMBL21395320 0.73 APOBEC3A (0.52) GRM5
SCHEMBL15282647 0.70 HTR2A (0.34) GRM5
SCHEMBL19131906 0.70 GRM5 (0.32) GRM5
Bromide SCHEMBL15282874 0.69 HTR2A (0.33) GRM5
SCHEMBL18238453 0.69 PDCD1 (0.42) GRM5
SCHEMBL18237868 0.69 GRM5 (0.33) GRM5

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-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 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 (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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT GRM5 2711/4885PARP1 2195/4885PARP15 3775/4885

“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.