SCHEMBL31276458

SCHEMBL31276458

CN(C(=O)OC(C)(C)C)[C@@H](Cc1cc(F)ccc1Br)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.40
MMP13 P45452 1/20 0.38
CTSS P25774 3/20 0.35
CTSK P43235 3/20 0.35
RIPK1 Q13546 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2C P28335 2/20 0.35
SLC6A4 P31645 2/20 0.35
HTR2A P28223 1/20 0.35
SSTR4 P31391 1/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
NR3C1 P04150 1/20 0.33
PKM P14618 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
MTNR1A P48039 1/20 0.32

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
SCHEMBL31276734 0.86 AAK1 (0.40) AAK1MMP13CTSSCTSK
SCHEMBL30461876 0.86 RIPK1 (0.43) AAK1MMP13CTSSCTSKRIPK1
SCHEMBL7248901 0.80 CTSS (0.46) AAK1MMP13CTSSCTSKRIPK1
SCHEMBL1401163 0.80 CTSS (0.46) AAK1MMP13CTSSCTSKRIPK1
SCHEMBL6317701 0.80 CTSS (0.46) AAK1MMP13CTSSCTSKRIPK1
SCHEMBL31717717 0.80 AAK1 (0.34) AAK1MMP13RIPK1HTR2CSLC6A4
SCHEMBL25185778 0.79 CTSS (0.48) AAK1MMP13CTSSCTSKRIPK1
SCHEMBL29079221 0.79 DPP4 (0.44) AAK1MMP13CTSSCTSKDPP4
SCHEMBL29079225 0.79 DPP4 (0.44) AAK1MMP13CTSSCTSKDPP4
SCHEMBL6320615 0.79 CTSS (0.48) AAK1MMP13CTSSCTSKRIPK1

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
WO-2025226861-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. (US) 2025-10-30 WO disclosed
WO-2025226862-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. (US) 2025-10-30 WO disclosed
US-20240408169-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-12-12 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-20240408169-A1 CYCLIN INHIBITORS CCNI, CDK2, CDK1 AAK1 1355/4885MMP13 2502/4885CTSS 2709/4885

“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.