SCHEMBL21322186

SCHEMBL21322186

CC(C)CNC(C)(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4C Q9H3R0 1/20 0.36
MMP1 P03956 1/20 0.35
MMP8 P22894 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ATM Q13315 1/20 0.31
MLYCD O95822 1/20 0.31

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
SCHEMBL25769641 0.83 CYP2D6 (0.42) CYP2D6CYP2C19MMP1MMP8MAPT
SCHEMBL2847967 0.79 CYP2D6 (0.39) CYP2D6CYP2C19MMP1MMP8ADH1B
SCHEMBL27818406 0.77 CYP2D6 (0.43) CYP2D6CYP2C19MMP1MMP8MAPT
SCHEMBL18756282 0.76 CYP2D6 (0.36) CYP2D6CYP2C19
SCHEMBL24613313 0.76 CYP2D6 (0.41) CYP2D6CYP2C19MMP1MMP8MAPT
SCHEMBL21507151 0.76 CYP2D6 (0.41) CYP2D6CYP2C19MMP1MMP8MAPT
SCHEMBL6050259 0.73 CYP2C19 (0.43) CYP2D6CYP2C19MMP1MMP8MAPT
SCHEMBL15359354 0.73 CYP2D6 (0.34) CYP2D6CYP2C19MMP1MMP8KMT2A
SCHEMBL1134031 0.72
SCHEMBL10719108 0.72 TSHR (0.42) CYP2D6CYP2C19KDM4CMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234030-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2023-08-30 EP disclosed
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
EP-3612525-B1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES INC (US) 2021-10-27 EP disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
US-20210024494-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2021-01-28 US disclosed
US-10710986-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-14 US disclosed
US-20190270727-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2019-09-05 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 (4 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 CYP2D6 1713/4885CYP2C19 3024/4885KDM4C 1528/4885
US-10710986-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 CYP2D6 1710/4885CYP2C19 3244/4885KDM4C 1309/4885
US-20210024494-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CYP2D6 3043/4885CYP2C19 4451/4885KDM4C 792/4885
US-20190270727-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CYP2D6 1710/4885CYP2C19 3244/4885KDM4C 1309/4885

“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.