SCHEMBL21361347

SCHEMBL21361347

CN(CC1CNC1)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
JAK2 O60674 3/20 0.32
JAK1 P23458 3/20 0.32
TYK2 P29597 3/20 0.32
JAK3 P52333 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP2C19 P33261 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
SCHEMBL21664326 0.83 APLNR (0.38) KMT2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL24392475 0.83 CA2 (0.37) HTR2CHTR2B
SCHEMBL4510179 0.81 JAK2 (0.39) MEN1KMT2AHTR2CHTR2BJAK2
SCHEMBL26665930 0.81 HTR2C (0.43) MEN1KMT2AHTR2CHTR2BJAK2
Hydrochloric Acid SCHEMBL26600223 0.79 HTR2C (0.42) MEN1KMT2AHTR2CHTR2BJAK2
SCHEMBL24571810 0.77 ALOX5 (0.38) MEN1KMT2AHTR2CHTR2BJAK2
SCHEMBL19380452 0.76 DAO (0.40) MEN1KMT2AHTR2CHTR2BJAK2
SCHEMBL16886880 0.76 DAO (0.40) MEN1KMT2AHTR2CHTR2BJAK2
SCHEMBL91545 0.72
SCHEMBL20314083 0.72 SLC6A2 (0.32) CYP1A2CYP3A4CYP2D6CYP2C9SLC6A2

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 5 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-11242350-B2 Spirocyclic ROR-gamma modulators ESCALIER BIOSCIENCES B.V. (US) 2022-02-08 US disclosed
US-20210053976-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2021-02-25 US 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-2019177997-A1 SPIROCYCLIC 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 (3 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 MEN1 4608/4885KMT2A 2268/4885HTR2C 2995/4885
US-20220106323-A1 SPIROCYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB MEN1 4608/4885KMT2A 2268/4885HTR2C 2995/4885
US-20210053976-A1 SPIROCYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB MEN1 4586/4885KMT2A 2149/4885HTR2C 2609/4885

“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.