SCHEMBL24192594

SCHEMBL24192594

Cn1ncc(Br)c1COCCNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
SCN9A Q15858 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
IDO1 P14902 1/20 0.37
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
DRD2 P14416 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL26926878 0.81 CA12 (0.47) CA12CA1CA2CA9SCN9A
SCHEMBL24191835 0.79 PRMT5 (0.38) CA12CA1CA2CA9SCN9A
SCHEMBL24192240 0.78 L3MBTL1 (0.33) LMNA
SCHEMBL25826817 0.76 ADORA2A (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL24552443 0.73 APP (0.33) MEN1KMT2ALMNA
SCHEMBL6133587 0.73 ALDH1A1 (0.44) ALDH1A1GFERIDO1STK17BSTK17A
SCHEMBL6133027 0.73 ALDH1A1 (0.46) CA1CA2ALDH1A1GFERSTK17B
SCHEMBL25056442 0.73 ALDH1A1 (0.46) CA1CA2ALDH1A1GFERSTK17B
SCHEMBL25471683 0.73 CTSS (0.48) CA12CA1CA2CA9IDO1
SCHEMBL25301986 0.72 IDO1 (0.47) CA12CA1CA2CA9IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257396-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS INC (US) 2023-08-17 US disclosed
US-20230257396-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS INC (US) 2023-08-17 US disclosed
US-20230257396-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS INC (US) 2023-08-17 US disclosed
CN-116171279-A Macrocyclic compounds and uses thereof 荣山医药股份有限公司 2023-05-26 CN disclosed
WO-2022011123-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2022-01-13 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-20230257396-A1 MACROCYCLES AND THEIR USE VHL, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DLD CA12 996/4885CA1 3839/4885CA2 4181/4885

“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.