SCHEMBL16892249

SCHEMBL16892249

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
TSHR P16473 1/20 0.59
CES2 O00748 1/20 0.42
TRPA1 O75762 1/20 0.39
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36

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
SCHEMBL819619 0.84 TSHR (0.68) LMNATSHRCES2TRPA1GABRP
SCHEMBL13301247 0.83 TSHR (0.77) LMNATSHRCES2TRPA1ALOX15
SCHEMBL14626987 0.83 TSHR (0.77) LMNATSHRCES2TRPA1ALOX15
SCHEMBL16887672 0.80 LMNA (0.50) LMNATSHRCES2TRPA1GABRP
SCHEMBL18212370 0.80 LMNA (0.50) LMNATSHRCES2TRPA1GABRP
SCHEMBL13041969 0.80 LMNA (0.50) LMNATSHRCES2GABRR1TRPV1
SCHEMBL27633891 0.78 LMNA (0.47) LMNATSHRCES2TRPA1GABRP
SCHEMBL937318 0.76 LMNA (0.60) LMNATSHRTRPA1GABRPGABRD
SCHEMBL937050 0.76 LMNA (0.60) LMNATSHRTRPA1GABRPGABRD
SCHEMBL1037667 0.76 LMNA (0.60) LMNATSHRTRPA1GABRPGABRD

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 LMNA 4085/4885TSHR 503/4885CES2 4020/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA LMNA 3963/4885TSHR 538/4885CES2 3911/4885

“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.