SCHEMBL21358321

SCHEMBL21358321

CCCS(=O)(=O)N1C2CCC1CNC2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 3/20 0.39
GPR119 Q8TDV5 1/20 0.34
MAPT P10636 3/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
JAK1 P23458 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 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
SCHEMBL615681 0.86 KDM4E (0.35) ALDH1A1KDM4EALOX15JAK1
SCHEMBL29460270 0.73 ACHE (0.43) ALDH1A1KDM4E
SCHEMBL633200 0.73 ACHE (0.43) ALDH1A1KDM4E
SCHEMBL21358501 0.72 GPR119 (0.35) GPR119
Hydrochloric Acid SCHEMBL19996108 0.71 ACHE (0.41) ALDH1A1KDM4E
SCHEMBL21358497 0.69 SMYD3 (0.31) LMNA
SCHEMBL21358394 0.67 POLB (0.49) ALDH1A1MAPTKMT2A
SCHEMBL30009830 0.66 JAK1 (0.30) JAK1
SCHEMBL4207696 0.66 MEN1 (0.33) KMT2A
SCHEMBL22030763 0.65 SMYD3 (0.34)

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-20220106329-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B V (US) 2022-04-07 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
EP-3765009-A1 BICYCLIC ROR-GAMMA MODULATORS Escalier Biosciences, BV (US) 2021-01-20 EP 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 (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-11230555-B2 Bicyclic RORγ modulators RORC, RORA, RORB ALDH1A1 403/4885KDM4E 3213/4885GPR119 106/4885
US-20210053987-A1 BICYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB ALDH1A1 287/4885KDM4E 3482/4885GPR119 107/4885
US-20220106329-A1 BICYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB ALDH1A1 287/4885KDM4E 3482/4885GPR119 107/4885

“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.