SCHEMBL21374050

SCHEMBL21374050

CON(C)C(=O)c1cc(F)c(O)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.36
MLYCD O95822 1/20 0.36
MTOR P42345 3/20 0.35
PIK3CA P42336 2/20 0.35
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
ALOX5 P09917 2/20 0.33
STAT3 P40763 2/20 0.33
NFE2L2 Q16236 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
LPAR5 Q9H1C0 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
PTGES O14684 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
SCHEMBL1002841 0.87 MLYCD (0.39) TRPM8MLYCDMTORPIK3CACLK1
SCHEMBL23003364 0.85 PTPN1 (0.36) TRPM8MLYCDMTORPIK3CACLK1
SCHEMBL23003346 0.83 HSP90AA1 (0.43) TRPM8GPR119
SCHEMBL18075678 0.81 KMT2A (0.36) TRPM8MLYCDMTORPIK3CACLK1
SCHEMBL2845005 0.81 LMNA (0.40) MLYCDMTORPIK3CACLK1DYRK1A
SCHEMBL15918563 0.79 SLC6A3 (0.43) TRPM8MLYCDMTORPIK3CACLK1
SCHEMBL23003420 0.78 PDK2 (0.42) TRPM8MLYCDMTORPIK3CALMNA
SCHEMBL31103821 0.78 KMT2A (0.36) TRPM8MLYCDMTORPIK3CACLK1
SCHEMBL12345357 0.78 CA12 (0.42) TRPM8MLYCDMTORCLK1DYRK1A
SCHEMBL21374047 0.77 TRPM8 (0.35) TRPM8MLYCDMTORPIK3CACLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106323-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2022-04-07 US disclosed
US-20220106329-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B V (US) 2022-04-07 US disclosed
US-11242350-B2 Spirocyclic ROR-gamma modulators ESCALIER BIOSCIENCES B.V. (US) 2022-02-08 US disclosed
US-11230555-B2 Bicyclic RORγ modulators ESCALIER BIOSCIENCES B.V. (US) 2022-01-25 US disclosed
US-11230555-B2 Bicyclic RORγ modulators ESCALIER BIOSCIENCES B.V. (US) 2022-01-25 US disclosed
US-20210053987-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2021-02-25 US disclosed
US-20210053976-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2021-02-25 US disclosed
US-20210053987-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2021-02-25 US disclosed
CN-112292124-A Bicyclic ROR-gamma modulators 爱思凯利尔生物科学私人有限责任公司 2021-01-29 CN disclosed
CN-112118841-A Spirocyclic ROR-gamma modulators 爱思凯利尔生物科学私人有限责任公司 2020-12-22 CN disclosed
WO-2019177996-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. (US) 2019-09-19 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 (6 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-11242350-B2 Spirocyclic ROR-gamma modulators RORA, RORC, RORB TRPM8 2052/4885MLYCD 4092/4885MTOR 3295/4885
US-11230555-B2 Bicyclic RORγ modulators RORC, RORA, RORB TRPM8 2241/4885MLYCD 3627/4885MTOR 3237/4885
US-20210053987-A1 BICYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB TRPM8 2438/4885MLYCD 3583/4885MTOR 3776/4885
US-20220106323-A1 SPIROCYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB TRPM8 2052/4885MLYCD 4092/4885MTOR 3295/4885
US-20210053976-A1 SPIROCYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB TRPM8 1562/4885MLYCD 4180/4885MTOR 2955/4885
US-20220106329-A1 BICYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB TRPM8 2438/4885MLYCD 3583/4885MTOR 3776/4885

“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.