SCHEMBL25939835

SCHEMBL25939835

CC(C)(C)COCC=CCNC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CTSK P43235 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CA1 P00915 4/20 0.33
▸ CA2 P00918 4/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ NAMPT P43490 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31

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
SCHEMBL23613236 1.00 TDP1 (0.39) TDP1MEN1GAAKMT2ACTSK
SCHEMBL18487257 0.84 TDP1 (0.50) TDP1MEN1GAAKMT2ACTSK
SCHEMBL18262007 0.84 TDP1 (0.50) TDP1MEN1GAAKMT2ACTSK
SCHEMBL18262010 0.84 TDP1 (0.50) TDP1MEN1GAAKMT2ACTSK
SCHEMBL25960109 0.83 KMT2A (0.33) MEN1GAAKMT2A
SCHEMBL18262802 0.78 MEN1 (0.46) TDP1MEN1GAAKMT2ACTSK
SCHEMBL661593 0.78 TDP1 (0.49) TDP1MEN1GAAKMT2ACTSK
SCHEMBL661594 0.78 TDP1 (0.49) TDP1MEN1GAAKMT2ACTSK
SCHEMBL19420087 0.78 TDP1 (0.44) TDP1MEN1GAAKMT2ACTSK
SCHEMBL20437999 0.78 TDP1 (0.44) TDP1MEN1GAAKMT2ACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 — — US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 — — 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 (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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH TDP1 4701/4885MEN1 139/4885GAA 2175/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH TDP1 4424/4885MEN1 108/4885GAA 1765/4885

“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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