SCHEMBL22966581

SCHEMBL22966581

Cc1nc(C(C)(C)C)sc1CNCCO

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.37
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE10A Q9Y233 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL21452367 0.80 PDE10A (0.44) MEN1GAAMAPK1KMT2APDE10A
SCHEMBL5530477 0.71 CNR1 (0.33) CNR1CNR2MEN1KMT2A
SCHEMBL22966747 0.70 GSR (0.39) GSRMEN1KMT2A
SCHEMBL22966467 0.68 GSR (0.41) GSRPDCD1CD274
SCHEMBL20322700 0.63 MEN1 (0.32) MEN1KMT2A
SCHEMBL13306889 0.62 ALDH1A1 (0.33)
SCHEMBL22966526 0.62 SIGMAR1 (0.37) CNR1CNR2
SCHEMBL25025569 0.62 SRC (0.39) PPARDPPARA
SCHEMBL10220328 0.62 NOS1 (0.44) CNR1CNR2GAAKMT2A
SCHEMBL20312792 0.61 MEN1 (0.33) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-02-11 US 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 (1 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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP GSR 1407/4885CNR1 722/4885CNR2 533/4885

“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.