SCHEMBL21112328

SCHEMBL21112328

CC(C)(C)CC(N)(C(=O)O)c1ccc(C#Cc2cnn(C(F)F)c2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 1/20 0.34
▸ FFAR1 O14842 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ GPER1 Q99527 2/20 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
SCHEMBL21112326 1.00 POLQ (0.34) POLQFFAR1FFAR4GPER1
SCHEMBL30557206 1.00 POLQ (0.34) POLQFFAR1FFAR4GPER1
SCHEMBL20908241 0.88 POLQ (0.34) POLQ
SCHEMBL29640180 0.88 POLQ (0.34) POLQ
SCHEMBL23115147 0.88 POLQ (0.34) POLQ
SCHEMBL21112963 0.77 CYP1A2 (0.33) FFAR1FFAR4
SCHEMBL21112962 0.77 CYP1A2 (0.33) FFAR1FFAR4
SCHEMBL20899783 0.74 CYP1A2 (0.35) —
SCHEMBL21112711 0.74 CYP1A2 (0.35) —
SCHEMBL30557356 0.74 CYP1A2 (0.35) —

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 4 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

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 POLQ 3503/4885FFAR1 4320/4885FFAR4 4686/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN POLQ 3503/4885FFAR1 4320/4885FFAR4 4686/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN POLQ 3503/4885FFAR1 4320/4885FFAR4 4686/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN POLQ 3695/4885FFAR1 4468/4885FFAR4 4701/4885

“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.

Send feedback