SCHEMBL18873238

SCHEMBL18873238

Cc1nc(C#CS(C)(C)C)cs1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.54
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL28749297 0.75
SCHEMBL1243386 0.73 GRM5 (0.56) GRM5CYP1A2CYP2D6
SCHEMBL19154597 0.73 GRM5 (0.71) GRM5
SCHEMBL3353813 0.71 GRM5 (0.68) GRM5CYP1A2CYP2D6
SCHEMBL15483095 0.71 GRM5 (0.53) GRM5CYP1A2CYP2D6
SCHEMBL4161912 0.71 GRM5 (1.00) GRM5
SCHEMBL1560740 0.70
SCHEMBL1118960 0.70
SCHEMBL1244046 0.70
SCHEMBL6024302 0.70

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-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 US disclosed
US-10287220-B2 Fluorination method OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-05-14 US disclosed
US-20170137341-A1 FLUORINATION METHOD OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-05-18 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-10287220-B2 Fluorination method F13B, PPARG, PGC GRM5 950/4885CYP1A2 316/4885CYP2D6 551/4885
US-20170137341-A1 FLUORINATION METHOD F13B, PPARG, PGC GRM5 972/4885CYP1A2 318/4885CYP2D6 578/4885

“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.