SCHEMBL21358322

SCHEMBL21358322

CS(=O)(=O)N1CC2(CCNC2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
CYP3A4 P08684 6/20 0.33
CYP2D6 P10635 6/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 4/20 0.33
CYP1A2 P05177 3/20 0.33
USP2 O75604 3/20 0.33
HIF1A Q16665 2/20 0.33
HPGD P15428 2/20 0.33
CYP2C9 P11712 5/20 0.33
CYP2C19 P33261 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NEK2 P51955 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALOX15 P16050 1/20 0.31
NAMPT P43490 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
SCHEMBL25051595 0.89 CHEK1 (0.38) TSHRCYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL19534272 0.88 ALDH1A1 (0.40) TSHRCYP3A4CYP2D6ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL625633 0.87 CHEK1 (0.38) TSHRCYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL15648710 0.87 TSHR (0.49) TSHRCYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL14919592 0.83 CYP3A4 (0.33) TSHRCYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL13780350 0.82 CYP2D6 (0.46) TSHRCYP3A4CYP2D6ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL349580 0.81 TSHR (0.46) TSHRCYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL616034 0.79 TSHR (0.38) TSHRCYP1A2
SCHEMBL22906067 0.78 CYP2D6 (0.42) TSHRCYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL30708152 0.78 CYP2C19 (0.36) TSHRCYP3A4CYP2D6ALDH1A1HSD17B10

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
EP-3765020-A1 SPIROCYCLIC ROR-GAMMA MODULATORS Escalier Biosciences B.V. (US) 2021-01-20 EP 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 TSHR 193/4885CYP3A4 964/4885CYP2D6 896/4885
US-20220106323-A1 SPIROCYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB TSHR 193/4885CYP3A4 964/4885CYP2D6 896/4885
US-20210053976-A1 SPIROCYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB TSHR 185/4885CYP3A4 863/4885CYP2D6 930/4885

“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.