SCHEMBL18204657

SCHEMBL18204657

C[C@@H]1CC2(CC[C@H]1C(=O)O)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.38
SLC6A11 P48066 1/20 0.38
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 3/20 0.31
GRM4 Q14833 6/20 0.31
LMNA P02545 3/20 0.31
CYP2C19 P33261 3/20 0.31
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
CYP1A2 P05177 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
GRM8 O00222 2/20 0.31
GRM6 O15303 2/20 0.31
ALOX15 P16050 1/20 0.31
GRM5 P41594 1/20 0.31
MTOR P42345 1/20 0.31
GRM1 Q13255 1/20 0.31

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
SCHEMBL14738542 1.00 SLC6A12 (0.38) SLC6A12SLC6A11TSHRPOLBMEN1
SCHEMBL2996659 1.00 SLC6A12 (0.38) SLC6A12SLC6A11TSHRPOLBMEN1
SCHEMBL2996657 1.00 SLC6A12 (0.38) SLC6A12SLC6A11TSHRPOLBMEN1
SCHEMBL5507145 1.00 SLC6A12 (0.38) SLC6A12SLC6A11TSHRPOLBMEN1
SCHEMBL2996660 1.00 SLC6A12 (0.38) SLC6A12SLC6A11TSHRPOLBMEN1
SCHEMBL31721444 0.84 EPHX1 (0.44) SLC6A12SLC6A11MEN1KMT2AALDH1A1
SCHEMBL16617788 0.83 SLC6A12 (0.41) SLC6A12SLC6A11TSHRPOLBMEN1
SCHEMBL14780089 0.83 GRM4 (0.33) MEN1KMT2AALDH1A1GRM4CYP2C19
SCHEMBL14780275 0.83 GRM4 (0.33) MEN1KMT2AALDH1A1GRM4CYP2C19
SCHEMBL2988940 0.78 CYP3A4 (0.38) POLBALDH1A1LMNACYP2C19MAPT

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 19 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-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-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-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
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-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
US-9815859-B2 Tricyclic sulfones as RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-14 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
US-20160326195-A1 TRICYCLIC SULFONES AS RORy MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-11-10 US 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 SLC6A12 4357/4885SLC6A11 2334/4885TSHR 346/4885
US-10711020-B2 Tricyclic sulfones as RORγ modulators RORC, RORB, RORA SLC6A12 4571/4885SLC6A11 1999/4885TSHR 432/4885
US-20160326195-A1 TRICYCLIC SULFONES AS RORy MODULATORS RORB, RORC, RORA SLC6A12 4638/4885SLC6A11 2132/4885TSHR 367/4885
US-20190241588-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA SLC6A12 4357/4885SLC6A11 2334/4885TSHR 346/4885
US-10273259-B2 Tricyclic sulfones as RORγ modulators RORC, RORB, RORA SLC6A12 4571/4885SLC6A11 1999/4885TSHR 432/4885

“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.