SCHEMBL27157406

SCHEMBL27157406

CC(C)(C)OC(=O)N1CCCC(C(=O)NNC(=O)c2cccnc2C(F)(F)F)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ POLB P06746 1/20 0.45
▸ ACKR3 P25106 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HDAC4 P56524 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ RIN1 Q13671 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ USP30 Q70CQ3 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KAT7 O95251 1/20 0.41
▸ KAT8 Q9H7Z6 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL30025353 1.00 KMT2A (0.46) KMT2APOLBACKR3KDM4EMEN1
SCHEMBL27157329 0.85 KMT2A (0.48) KMT2AACKR3KDM4EMEN1HDAC4
SCHEMBL30025946 0.83 POLB (0.45) KMT2APOLBACKR3HDAC6USP30
SCHEMBL27157338 0.83 KMT2A (0.50) KMT2APOLBACKR3KDM4EMEN1
SCHEMBL27157319 0.81 KMT2A (0.47) KMT2AACKR3KDM4EMEN1ABL1
SCHEMBL27157300 0.79 KMT2A (0.53) KMT2APOLBACKR3KDM4EMEN1
SCHEMBL27157359 0.79 ACKR3 (0.47) KMT2AACKR3HDAC4HDAC6USP30
SCHEMBL30025905 0.79 KMT2A (0.53) KMT2APOLBACKR3KDM4EMEN1
SCHEMBL27157330 0.78 KMT2A (0.62) KMT2AACKR3KDM4EMEN1CYP2C19
SCHEMBL29242116 0.75 POLB (0.54) KMT2APOLBMEN1PARP1MAPT

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-20240246952-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2024-07-25 — — US disclosed
CN-117751114-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-22 — — CN disclosed
EP-4329880-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 — — EP disclosed
WO-2022232360-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2022-11-03 — — 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 (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-20240246952-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 KMT2A 3498/4885POLB 1535/4885ACKR3 4193/4885

“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.

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