SCHEMBL5895249

SCHEMBL5895249

COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
RECQL P46063 1/20 0.36
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35
ACACB O00763 1/20 0.35
MMP2 P08253 2/20 0.35
MMP13 P45452 2/20 0.35
ADAM17 P78536 2/20 0.35
MMP14 P50281 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL15581870 0.93 PKM (0.48) PKMUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL23246690 0.93 PKM (0.43) PKMUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL5895758 0.88 USP2 (0.41) PKMUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL29381025 0.87 PKM (0.39) PKMUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL5895665 0.86 PKM (0.34) PKMCYP4F2CYP4A11
SCHEMBL23246952 0.86 CYP4F2 (0.47) PKMUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL2799709 0.85 PKM (0.47) PKMUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL16101043 0.84 PKM (0.46) PKMUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL23247143 0.83 CYP4F2 (0.36) PKMUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL15076439 0.83 USP2 (0.41) PKMUSP2SMN1; SMN2RECQLHPGD

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-2021249913-A9 2'-(QUINOLIN-3-YL)-5',6'-DIHYDROSPIRO[AZETIDINE-3,4'-PYRROLO[1,2-B]PYRAZOLE]-1-CARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS MAP4K1 (HPK1) INHIBITORS FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2022-02-03 WO disclosed
US-7091211-B2 Cyclopentyl modulators of chemokine receptor activity MERCK & CO., INC. (US) 2006-08-15 US disclosed
US-20050070609-A1 Cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2005-03-31 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-20050070609-A1 Cyclopentyl modulators of chemokine receptor activity CCR5, CXCR1, ACKR3 PKM 2841/4885USP2 4590/4885SMN1; SMN2 4725/4885

“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.