SCHEMBL16675247

SCHEMBL16675247

[2H]C1([2H])C(C(=O)O)CC1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
APLNR P35414 1/20 0.33
POLB P06746 1/20 0.32
GLA P06280 1/20 0.32
BTK Q06187 1/20 0.32
LMNA P02545 1/20 0.32
GRM2 Q14416 1/20 0.31
GABRR1 P24046 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
SCHEMBL12424332 0.81 APLNR (0.39) CYP2C19CYP1A2CYP2D6ALOX15SLC1A3
SCHEMBL12384655 0.81 APLNR (0.39) CYP2C19CYP1A2CYP2D6ALOX15SLC1A3
SCHEMBL1769081 0.79 APLNR (0.37) CYP2C19CYP1A2CYP2D6ALOX15SLC1A3
SCHEMBL864032 0.79 APLNR (0.37) CYP2C19CYP1A2CYP2D6ALOX15SLC1A3
SCHEMBL1073419 0.76 GLA (0.43) APLNRGLABTKLMNAGRM2
SCHEMBL20047617 0.72 BTK (0.49) GLABTKLMNAGRM2GABRR1
SCHEMBL14436576 0.72 BTK (0.49) GLABTKLMNAGRM2GABRR1
SCHEMBL863425 0.72 BTK (0.49) GLABTKLMNAGRM2GABRR1
SCHEMBL17803093 0.70 CES2 (0.37) CYP2C19CYP1A2CYP2D6ALOX15SLC1A3
SCHEMBL1835961 0.70 GLA (0.50) CYP2D6APLNRGLALMNA

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 CYP2C19 3280/4885CYP1A2 3068/4885CYP2D6 3427/4885
US-20150337004-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, PELP1 CYP2C19 3597/4885CYP1A2 4049/4885CYP2D6 3924/4885

“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.