SCHEMBL25322940

SCHEMBL25322940

CC(CCCN1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
HDAC7 Q8WUI4 6/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC8 Q9BY41 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
AKT1 P31749 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL30550754 1.00 NPC1 (0.46) NPC1MMP2MMP3MMP9MMP13
SCHEMBL25322938 1.00 NPC1 (0.46) NPC1MMP2MMP3MMP9MMP13
SCHEMBL20974198 0.93 AKT1 (0.43) MMP2MMP3MMP9MMP13AKT1
SCHEMBL22559290 0.93 AKT1 (0.43) MMP2MMP3MMP9MMP13AKT1
SCHEMBL2640680 0.86 ALDH1A1 (0.51) MMP2MMP3MMP9MMP13HDAC7
SCHEMBL31649378 0.86 ALDH1A1 (0.51) MMP2MMP3MMP9MMP13HDAC7
SCHEMBL2640679 0.86 ALDH1A1 (0.51) MMP2MMP3MMP9MMP13HDAC7
SCHEMBL34475725 0.86 NPC1 (0.44) NPC1MMP2MMP3MMP9MMP13
SCHEMBL5033293 0.86 MMP2 (0.46) NPC1MMP2MMP3MMP9MMP13
SCHEMBL30518286 0.85 ACHE (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459922-B2 PARP7 inhibitors GILEAD SCIENCES, INC. (US) 2025-11-04 US disclosed
EP-4469448-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2024-12-04 EP disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 WO 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-12459922-B2 PARP7 inhibitors PARP1, PARP11, PARP2 NPC1 2431/4885MMP2 3239/4885MMP3 915/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 NPC1 2431/4885MMP2 3239/4885MMP3 915/4885

“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.