SCHEMBL20009014

SCHEMBL20009014

CC(C)N1CCN(C(=O)c2cncs2)C(CO)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.51
HRH3 Q9Y5N1 1/20 0.39
GRM5 P41594 8/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
ADORA2B P29275 1/20 0.35
HSP90AA1 P07900 3/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ACACB O00763 4/20 0.35
TYRO3 Q06418 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL20009111 0.86 PIK3CD (0.38) PIK3CDHRH3ACACB
SCHEMBL20008973 0.84 PIK3CD (0.54) PIK3CDHRH3GRM5ALDH1A1HSP90AA1
SCHEMBL21064695 0.84 PIK3CD (0.48) PIK3CDGRM5ALDH1A1GAAADORA2B
SCHEMBL25872053 0.72 POLB (0.34) PIK3CDHRH3POLB
SCHEMBL20009042 0.71 PIK3CD (0.50) PIK3CDHRH3GRM5ALDH1A1GAA
SCHEMBL24448652 0.70 PIK3CD (0.37) PIK3CDHRH3POLB
SCHEMBL26241331 0.69 PIK3CD (0.51) PIK3CDGRM5ALDH1A1GAAHSP90AA1
SCHEMBL25540243 0.69 DPP4 (0.37) HRH3POLB
SCHEMBL19701901 0.68 PIK3CD (1.00) PIK3CDGRM5ALDH1A1HSP90AA1MAPT
SCHEMBL19710934 0.68 PIK3CD (0.65) PIK3CDGRM5ALDH1A1GAAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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 (2 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-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 PIK3CD 3161/4885HRH3 203/4885GRM5 1607/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 PIK3CD 3161/4885HRH3 203/4885GRM5 1607/4885

“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.