SCHEMBL16892298

SCHEMBL16892298

CC(=O)C1(O)CCC(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
LMNA P02545 3/20 0.41
GRM2 Q14416 2/20 0.41
GRM3 Q14832 2/20 0.41
GRM4 Q14833 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 1/20 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
APLNR P35414 1/20 0.39
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
SCHEMBL18215826 1.00 TSHR (0.41) TSHRLMNAGRM2GRM3GRM4
SCHEMBL16892300 0.80 SMN1; SMN2 (0.39) TSHRLMNAGRM2GRM3GRM4
SCHEMBL18212652 0.78 LMNA (0.38) TSHRLMNAGRM2GRM3GRM4
SCHEMBL16892288 0.77 APLNR (0.44) TSHRLMNAGRM2GRM3GRM4
SCHEMBL16892291 0.77 APLNR (0.44) TSHRLMNAGRM2GRM3GRM4
SCHEMBL21242166 0.77 LMNA (0.41) TSHRLMNAGRM2GRM3GRM4
SCHEMBL15199113 0.76 CYP2C9 (0.37) CYP2C19CYP1A2SLC1A2SLC1A1KDM4E
SCHEMBL17029290 0.76 CYP2C9 (0.37) CYP2C19CYP1A2SLC1A2SLC1A1KDM4E
SCHEMBL321916 0.76 APLNR (0.48) TSHRLMNAGRM2GRM3GRM4
SCHEMBL321917 0.76 APLNR (0.48) TSHRLMNAGRM2GRM3GRM4

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 TSHR 503/4885LMNA 4085/4885GRM2 960/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA TSHR 538/4885LMNA 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.