SCHEMBL4019338

SCHEMBL4019338

O=C(O)C1CCC2(CC1)CO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
CYP2C19 P33261 3/20 0.42
LMNA P02545 3/20 0.42
GRM2 Q14416 2/20 0.42
GRM3 Q14832 2/20 0.42
GRM4 Q14833 2/20 0.42
CYP1A2 P05177 2/20 0.42
ALOX15 P16050 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRM5 P41594 1/20 0.42
MTOR P42345 1/20 0.42
GRM1 Q13255 1/20 0.42
PLCB1 Q9NQ66 1/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41

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
SCHEMBL18204574 1.00 TSHR (0.42) TSHRCYP2C19LMNAGRM2GRM3
SCHEMBL9800202 1.00 TSHR (0.42) TSHRCYP2C19LMNAGRM2GRM3
SCHEMBL28710315 0.86 TSHR (0.48) TSHRCYP2C19LMNAGRM2GRM3
SCHEMBL19304 0.80 TSHR (0.38) TSHRCYP2C19LMNAGRM2GRM3
SCHEMBL4433770 0.76 TSHR (0.42) TSHRCYP2C19LMNAGRM2GRM3
SCHEMBL347049 0.74 TSHR (0.41) TSHRCYP2C19LMNAGRM2GRM3
SCHEMBL25709731 0.74 CYP2C19 (0.42) TSHRCYP2C19LMNAGRM2GRM3
SCHEMBL4442976 0.74 CYP2C19 (0.34) TSHRCYP2C19LMNAGRM2GRM3
SCHEMBL8004566 0.74 CYP2C19 (0.52) TSHRCYP2C19LMNAGRM2GRM3
SCHEMBL31405359 0.73 TSHR (0.43) TSHRCYP2C19LMNAGRM2GRM3

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3292101-B1 TRICYCLIC SULFONES AS ROR-GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 EP disclosed
EP-3541786-B1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
US-10711020-B2 Tricyclic sulfones as RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-14 US disclosed
US-10435369-B2 Tricyclic sulfones as ROR gamma modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-10-08 US disclosed
EP-3541786-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS Bristol-Myers Squibb Company (US) 2019-09-25 EP disclosed
US-20190241588-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-08-08 US disclosed
US-10273259-B2 Tricyclic sulfones as RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-30 US disclosed
WO-2018089402-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
US-20180127368-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-05-10 US disclosed
EP-3292101-A1 TRICYCLIC SULFONES AS ROR MODULATORS Bristol-Myers Squibb Company (US) 2018-03-14 EP disclosed
US-20180002358-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-01-04 US disclosed
US-9815859-B2 Tricyclic sulfones as RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-14 US disclosed
WO-2016179460-A1 TRICYCLIC SULFONES AS RORϒ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-10 WO disclosed
US-20160326195-A1 TRICYCLIC SULFONES AS RORy MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-11-10 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed
WO-2008092888-A1 1-OXA-3-AZASPIRO[4,5]DECAN--2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed
WO-2008092887-A1 I-OXA-3-AZASPIRO (4.5) DECAN-2-ONE AND 1-OXA-3, 8-DIAZASPIRO (4.5) DECAN-2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed
WO-2008092891-A1 1-OXA-3-AZASPIRO(4.5)DECAN-2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO 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 (7 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-10435369-B2 Tricyclic sulfones as ROR gamma modulators RORC, RORB, RORA TSHR 357/4885CYP2C19 318/4885LMNA 3927/4885
US-20180002358-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA TSHR 346/4885CYP2C19 270/4885LMNA 3931/4885
US-10711020-B2 Tricyclic sulfones as RORγ modulators RORC, RORB, RORA TSHR 432/4885CYP2C19 199/4885LMNA 4148/4885
US-20160326195-A1 TRICYCLIC SULFONES AS RORy MODULATORS RORB, RORC, RORA TSHR 367/4885CYP2C19 260/4885LMNA 4243/4885
US-20180127368-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA TSHR 357/4885CYP2C19 318/4885LMNA 3927/4885
US-20190241588-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA TSHR 346/4885CYP2C19 270/4885LMNA 3931/4885
US-10273259-B2 Tricyclic sulfones as RORγ modulators RORC, RORB, RORA TSHR 432/4885CYP2C19 199/4885LMNA 4148/4885

“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.