SCHEMBL18204615

SCHEMBL18204615

C[C@@H]1CC(C(=O)O)C[C@H](C)S1(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.37
CYP2C19 P33261 3/20 0.35
GABRR1 P24046 1/20 0.35
CYP2D6 P10635 3/20 0.33
CYP1A2 P05177 3/20 0.33
ALOX15 P16050 3/20 0.33
SLC6A4 P31645 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
TSHR P16473 2/20 0.32
PMP22 Q01453 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32

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
SCHEMBL18210478 1.00 APLNR (0.37) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL18204616 1.00 APLNR (0.37) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL19301249 0.74
SCHEMBL19301350 0.74
SCHEMBL30684656 0.73 GABRR1 (0.34) APLNRCYP2C19GABRR1TSHRPMP22
SCHEMBL18204640 0.73 GABRR1 (0.34) APLNRCYP2C19GABRR1TSHRPMP22
SCHEMBL850636 0.73 APLNR (0.43) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL4919619 0.73
SCHEMBL12385979 0.73
SCHEMBL850635 0.73 APLNR (0.43) APLNRCYP2C19GABRR1CYP2D6CYP1A2

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 10 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
CN-107709295-B Tricyclic sulfones as ROR gamma modulators 百时美施贵宝公司 2021-05-04 CN disclosed
US-10711020-B2 Tricyclic sulfones as RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-14 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20180002358-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA APLNR 3054/4885CYP2C19 270/4885GABRR1 371/4885
US-10711020-B2 Tricyclic sulfones as RORγ modulators RORC, RORB, RORA APLNR 3260/4885CYP2C19 199/4885GABRR1 402/4885
US-20160326195-A1 TRICYCLIC SULFONES AS RORy MODULATORS RORB, RORC, RORA APLNR 3103/4885CYP2C19 260/4885GABRR1 506/4885
US-20190241588-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA APLNR 3054/4885CYP2C19 270/4885GABRR1 371/4885
US-10273259-B2 Tricyclic sulfones as RORγ modulators RORC, RORB, RORA APLNR 3260/4885CYP2C19 199/4885GABRR1 402/4885

“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.