SCHEMBL21322183

SCHEMBL21322183

COC(=O)[C@@H](C)NCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 6/20 0.46
CA12 O43570 5/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP1 P03956 1/20 0.35
MMP8 P22894 1/20 0.35
CA2 P00918 1/20 0.34
MME P08473 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
SCHEMBL1604615 1.00 CA14 (0.46) CA14CA12CA7CA9CYP2D6
SCHEMBL1604610 1.00 CA14 (0.46) CA14CA12CA7CA9CYP2D6
SCHEMBL31759051 0.84 CA14 (0.45) CA14CA12CA7CA9SMN1; SMN2
SCHEMBL1555870 0.82 CA14 (0.43) CA14CA12CA7CA9SMN1; SMN2
SCHEMBL11180281 0.82 CYP2D6 (0.43) CYP2D6CYP2C19PKMMAPTMMP8
SCHEMBL24105157 0.82 CA14 (0.43) CA14CA12CA7CA9SMN1; SMN2
SCHEMBL1555873 0.82 CA14 (0.43) CA14CA12CA7CA9SMN1; SMN2
SCHEMBL13650458 0.78
SCHEMBL706892 0.78
SCHEMBL2588872 0.78 CYP2D6 (0.42) CYP2D6CYP2C19KMT2APKMMAPT

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
US-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 US disclosed
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
US-20210053946-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-02-25 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 (5 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 CA14 1741/4885CA12 1634/4885CA7 2547/4885
US-20230212155-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CA14 965/4885CA12 998/4885CA7 2034/4885
US-20210053946-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CA14 965/4885CA12 998/4885CA7 2034/4885
US-10710986-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 CA14 965/4885CA12 998/4885CA7 2034/4885
US-20190270727-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CA14 965/4885CA12 998/4885CA7 2034/4885

“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.