SCHEMBL20908221

SCHEMBL20908221

CC(C)(CC(=O)C(=O)O)C(F)F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
OR51E2 Q9H255 1/20 0.32
TET2 Q6N021 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
SCHEMBL18762513 0.80 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL20908224 0.76 TET2 (0.33) TET2
SCHEMBL29059482 0.75 HMGCR (0.31) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL3697055 0.71 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL19359063 0.69 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL8874275 0.69 HMGCR (0.39) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL28976503 0.68 PIK3CD (0.31)
SCHEMBL27770098 0.67 TSHR (0.42) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL28113103 0.67 TSHR (0.42) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL3230536 0.66 OR51E2 (0.40) OR51E2TET2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 US disclosed
US-20210078959-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2021-03-18 US disclosed
US-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 US disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 US disclosed
WO-2019075291-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-04-18 WO 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 (4 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-20210078959-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, FURIN HMGCR 1256/4885CHRM1 4851/4885TBXA2R 4105/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN HMGCR 1256/4885CHRM1 4851/4885TBXA2R 4105/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN HMGCR 1256/4885CHRM1 4851/4885TBXA2R 4105/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN HMGCR 906/4885CHRM1 4844/4885TBXA2R 4538/4885

“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.