SCHEMBL18170195

SCHEMBL18170195

C[C@H](NC(=O)O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.34
TAS1R1 Q7RTX1 3/20 0.34
TAS1R2 Q8TE23 3/20 0.34
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
MLYCD O95822 1/20 0.31
BRD4 O60885 1/20 0.31
TRPM8 Q7Z2W7 3/20 0.31
TP53 P04637 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL5351163 1.00 TAS1R3 (0.34) TAS1R3TAS1R1TAS1R2CYP2C19CYP2D6
SCHEMBL10900666 0.82 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2CYP2C19CYP2D6
SCHEMBL22311151 0.82 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2CYP2C19CYP2D6
SCHEMBL30601961 0.82 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2CYP2C19CYP2D6
SCHEMBL22684835 0.80 KDM5B (0.33)
SCHEMBL22684608 0.80 KDM5B (0.33)
SCHEMBL18045230 0.80 KDM5B (0.33)
SCHEMBL20899727 0.79 CYP3A4 (0.31) TAS1R3TAS1R1TAS1R2CYP2C19CYP3A4
SCHEMBL17777043 0.79 ALDH1A1 (0.37) CYP2C19CYP3A4CYP2C9MLYCDTRPM8
SCHEMBL20899800 0.79 CYP3A4 (0.31) TAS1R3TAS1R1TAS1R2CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2024-06-13 US disclosed
EP-3694846-B1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2024-05-08 EP disclosed
US-20240043427-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2024-02-08 US disclosed
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 WO 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
EP-3694846-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS Gilead Sciences, Inc. (US) 2020-08-19 EP 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
US-9834526-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-20160311786-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-27 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 (8 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E TAS1R3 3767/4885TAS1R1 3502/4885TAS1R2 3684/4885
US-20210078959-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, FURIN TAS1R3 4072/4885TAS1R1 3319/4885TAS1R2 4355/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN TAS1R3 4072/4885TAS1R1 3319/4885TAS1R2 4355/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN TAS1R3 4072/4885TAS1R1 3319/4885TAS1R2 4355/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN TAS1R3 4235/4885TAS1R1 3705/4885TAS1R2 4517/4885
US-20240043427-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E TAS1R3 3767/4885TAS1R1 3502/4885TAS1R2 3684/4885
US-20160311786-A1 HIV PROTEASE INHIBITORS PREP, PRSS1, CTSV TAS1R3 4631/4885TAS1R1 4684/4885TAS1R2 4730/4885
US-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF CDK3, CDK8, CDK6 TAS1R3 4847/4885TAS1R1 4841/4885TAS1R2 4860/4885

“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.