SCHEMBL16675316

SCHEMBL16675316

CC(=O)[C@@H]1C[C@H](C(=O)OC(=O)c2c(Cl)cc(Cl)cc2Cl)C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SPR P35270 2/20 0.33
AKR1B1 P15121 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
SCHEMBL12914999 1.00 KMT2A (0.37) KMT2ALMNAMAPTSPRAKR1B1
SCHEMBL12914976 0.88 KMT2A (0.36) KMT2ALMNAMAPTSPR
SCHEMBL961100 0.86 KMT2A (0.35) KMT2ALMNAMAPTSPR
SCHEMBL16864100 0.82 ESR1 (0.40) KMT2ALMNAMAPT
SCHEMBL15362627 0.82 ESR1 (0.40) KMT2ALMNAMAPT
SCHEMBL18375984 0.80 SLC6A3 (0.41) LMNA
SCHEMBL15352349 0.80 SLC6A3 (0.41) LMNA
SCHEMBL16675318 0.76 SPR (0.40) KMT2ALMNAMAPTSPR
SCHEMBL18365233 0.76 SPR (0.40) KMT2ALMNAMAPTSPR
SCHEMBL432792 0.70 KMT2A (0.52) KMT2ALMNAMAPTSPR

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
US-9637516-B2 Betulinic acid proline derivatives as HIV inhibitors HETERO RESEARCH FOUNDATION (IN) 2017-05-02 US disclosed
US-20150337004-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-11-26 US disclosed
US-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-04-30 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-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS BET1, PGGT1B, RABGGTB KMT2A 4174/4885LMNA 3477/4885MAPT 397/4885
US-20150337004-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, PELP1 KMT2A 4067/4885LMNA 3831/4885MAPT 650/4885

“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.