SCHEMBL19174358

SCHEMBL19174358

CC(C)OC(=O)C(C)NCI

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
LMNA P02545 2/20 0.31
CA14 Q9ULX7 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL19174264 0.82
SCHEMBL20222504 0.80 TSHR (0.39) TSHRPPARGNCOA2NCOA1RXFP1
SCHEMBL15242303 0.80 TSHR (0.39) TSHRPPARGNCOA2NCOA1RXFP1
SCHEMBL18162798 0.80 TSHR (0.39) TSHRPPARGNCOA2NCOA1RXFP1
SCHEMBL19174385 0.78 MGAM (0.41) LMNA
SCHEMBL24134622 0.77 SCN1A (0.39) TSHRPPARGNCOA2NCOA1RXFP1
SCHEMBL19174359 0.77 TSHR (0.41) TSHR
SCHEMBL19235811 0.77 TSHR (0.36) TSHRPPARGNCOA2NCOA1RXFP1
SCHEMBL18880969 0.77 SCN1A (0.39) TSHRPPARGNCOA2NCOA1RXFP1
SCHEMBL18069585 0.75 TSHR (0.42) TSHRPPARGNCOA2NCOA1RXFP1

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-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-17 US disclosed
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-07-27 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-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA TSHR 4872/4885PPARG 4431/4885NCOA2 3597/4885
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA TSHR 4872/4885PPARG 4431/4885NCOA2 3597/4885

“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.