SCHEMBL21374049

SCHEMBL21374049

C=Cc1c(O)c(F)cc(C(=O)N(C)OC)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.35
STAT3 P40763 2/20 0.35
NFE2L2 Q16236 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
PTGES O14684 1/20 0.34
PTGS1 P23219 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
MLYCD O95822 1/20 0.33
GPR119 Q8TDV5 1/20 0.31
PIK3CA P42336 2/20 0.31
MTOR P42345 2/20 0.31
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL21358757 0.79 MLYCD (0.34) MLYCD
SCHEMBL21374051 0.78 PIK3CA (0.35) ALOX5STAT3NFE2L2NFKB1NFKB2
SCHEMBL21372587 0.77 TRPM8 (0.32) ALOX5STAT3NFE2L2NFKB1NFKB2
SCHEMBL21374047 0.77 TRPM8 (0.35) ALOX5STAT3NFE2L2NFKB1NFKB2
SCHEMBL23003375 0.77 TRPM8 (0.33) ALOX5STAT3NFE2L2NFKB1NFKB2
SCHEMBL23003369 0.74 MLYCD (0.52) MLYCDLMNA
SCHEMBL1002841 0.74 MLYCD (0.39) ALOX5STAT3NFE2L2NFKB1NFKB2
SCHEMBL21374050 0.73 TRPM8 (0.36) ALOX5STAT3NFE2L2NFKB1NFKB2
SCHEMBL23003336 0.72 MTOR (0.34) ALOX5STAT3NFE2L2NFKB1NFKB2
SCHEMBL26690707 0.72 CLK1 (0.39) ALOX5STAT3NFE2L2NFKB1NFKB2

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-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
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 ALOX5 2500/4885STAT3 473/4885NFE2L2 785/4885
US-11230555-B2 Bicyclic RORγ modulators RORC, RORA, RORB ALOX5 1302/4885STAT3 206/4885NFE2L2 886/4885
US-20210053987-A1 BICYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB ALOX5 2066/4885STAT3 340/4885NFE2L2 976/4885
US-20220106323-A1 SPIROCYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB ALOX5 2500/4885STAT3 473/4885NFE2L2 785/4885
US-20210053976-A1 SPIROCYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB ALOX5 2385/4885STAT3 400/4885NFE2L2 830/4885
US-20220106329-A1 BICYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB ALOX5 2066/4885STAT3 340/4885NFE2L2 976/4885

“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.