SCHEMBL16886352

SCHEMBL16886352

CC(C)C(=O)C12C3C4C1C1C2C3C41C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
GRM1 Q13255 1/20 0.45
GRM2 Q14416 1/20 0.45
GRM4 Q14833 1/20 0.45

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
SCHEMBL838877 0.78 GRM5 (0.55) GRM5GRM1GRM2GRM4
SCHEMBL10160845 0.77 TP53 (0.30)
Hydrochloric Acid SCHEMBL10875068 0.74 GRM5 (0.52) GRM5GRM1GRM2GRM4
SCHEMBL20130279 0.73 GRM5 (0.46) GRM5GRM1GRM2GRM4
SCHEMBL16887658 0.70 GRM5 (0.44) GRM5GRM1GRM2GRM4
SCHEMBL10160060 0.70 GRM5 (0.41) GRM5GRM1GRM2GRM4
SCHEMBL15055615 0.65 GRM5 (0.50) GRM5GRM1GRM2GRM4
SCHEMBL10209770 0.65 GRM5 (0.40) GRM5GRM1GRM2GRM4
SCHEMBL4732666 0.64 GRM5 (0.42) GRM5GRM1GRM2GRM4
SCHEMBL10136463 0.62 FFAR3 (0.38)

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-9458171-B2 Pyrrolidinyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 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-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA GRM5 728/4885GRM1 427/4885GRM2 753/4885

“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.