SCHEMBL22966549

SCHEMBL22966549

COC(=O)NCC1(N2CCc3nc(C(C)(C)C)sc3C2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CB P42338 3/20 0.35
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
PIK3CD O00329 2/20 0.32
PI4KB Q9UBF8 1/20 0.32
TP53 P04637 2/20 0.32
LMNA P02545 1/20 0.32
GRM5 P41594 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
SCHEMBL21451971 0.86 DPP4 (0.34) PIK3CGGAANPC1RAB9AKMT2A
SCHEMBL21451969 0.77 HDAC6 (0.41) GAAKDM4ENPC1ALDH1A1MAPK1
SCHEMBL22966630 0.75 PDCD1 (0.41)
SCHEMBL9964552 0.72 GRAMD1A (0.44) NPC1RAB9AGRM5
SCHEMBL22966544 0.72 PIK3CA (0.34) PIK3CGPIK3CAPIK3CBGAAKDM4E
SCHEMBL2700056 0.70 RXFP1 (0.46) GAAKDM4ENPC1ALDH1A1RAB9A
SCHEMBL22966676 0.69 ALDH1A1 (0.45) GAAKDM4ENPC1ALDH1A1MAPK1
SCHEMBL22966522 0.68 GAA (0.41) PIK3CGPIK3CAPIK3CBGAAKDM4E
SCHEMBL16285300 0.68 RAD52 (0.41) GAAKDM4ENPC1ALDH1A1MAPK1
SCHEMBL20368922 0.67 GRM5 (0.42) PIK3CGPIK3CAPIK3CBNPC1RAB9A

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 PIK3CG 2017/4885PIK3CA 2827/4885PIK3CB 1671/4885

“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.