SCHEMBL16892291

SCHEMBL16892291

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nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.44
LMNA P02545 3/20 0.41
GRM2 Q14416 2/20 0.41
GRM3 Q14832 2/20 0.41
GRM4 Q14833 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALOX15 P16050 2/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRM5 P41594 1/20 0.41
MTOR P42345 1/20 0.41
GRM1 Q13255 1/20 0.41
PLCB1 Q9NQ66 1/20 0.41
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39

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
SCHEMBL16892288 1.00 APLNR (0.44) APLNRLMNAGRM2GRM3GRM4
SCHEMBL13740390 0.87 GRM2 (0.47) APLNRLMNAGRM2GRM3GRM4
SCHEMBL15248839 0.87 GRM2 (0.47) APLNRLMNAGRM2GRM3GRM4
SCHEMBL431288 0.84 FFAR3 (0.59) APLNRLMNAGRM2GRM3GRM4
SCHEMBL11799188 0.84 FFAR3 (0.59) APLNRLMNAGRM2GRM3GRM4
SCHEMBL4443561 0.78 APLNR (0.56) APLNRLMNAGRM2GRM3GRM4
SCHEMBL16892298 0.77 TSHR (0.41) APLNRLMNAGRM2GRM3GRM4
SCHEMBL18215826 0.77 TSHR (0.41) APLNRLMNAGRM2GRM3GRM4
SCHEMBL16886408 0.77 TP53 (0.42) TSHRPOLBALDH1A1
SCHEMBL16887682 0.77 LMNA (0.41) APLNRLMNAGRM2GRM3GRM4

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-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
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 (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-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS RORC, RORB, RORA APLNR 2955/4885LMNA 4085/4885GRM2 960/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA APLNR 2477/4885LMNA 3963/4885GRM2 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.