SCHEMBL29702967

SCHEMBL29702967

COC(=O)c1ccc(CCC(=O)c2ccccc2C(=O)O)cc1OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.52
GNMT Q14749 2/20 0.52
TRPM2 O94759 1/20 0.52
METTL3 Q86U44 1/20 0.51
NNMT P40261 1/20 0.51

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
SCHEMBL22343548 1.00 ADORA1 (0.52) ADORA1GNMTTRPM2METTL3NNMT
SCHEMBL22323629 0.94 GNMT (0.56) ADORA1GNMTTRPM2
SCHEMBL22343636 0.88 BCHE (0.45) GNMTNNMT
SCHEMBL22343666 0.88 GNMT (0.56) ADORA1GNMTTRPM2METTL3
SCHEMBL22343533 0.86 GNMT (0.57) ADORA1GNMTTRPM2METTL3
SCHEMBL29702996 0.84 ADORA1 (0.54) ADORA1GNMTTRPM2METTL3
SCHEMBL22343675 0.83 ADH1A (0.53) ADORA1GNMTTRPM2METTL3
SCHEMBL22343635 0.82 BCHE (0.46) GNMT
SCHEMBL22343764 0.81 ADORA1 (0.54) ADORA1GNMTTRPM2
SCHEMBL22343634 0.81 AHCY (0.45) GNMTNNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220235088-A1 INHIBITORS OF ADENYLATE-FORMING ENZYME MENE MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-07-28 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-20220235088-A1 INHIBITORS OF ADENYLATE-FORMING ENZYME MENE ADSL, MEN1, AMD1 ADORA1 309/4885GNMT 526/4885TRPM2 2129/4885

“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.