SCHEMBL20296602

SCHEMBL20296602

COc1cc(F)c(F)c(B(O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 3/20 0.40
ENPP2 Q13822 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CPS1 P31327 3/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38
TUBB2B Q9BVA1 2/20 0.38

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
SCHEMBL29517432 1.00 TAAR1 (0.42) TAAR1ALDH1A1ENPP2CA1CA2
SCHEMBL17622095 0.82 TAAR1 (0.41) TAAR1ALDH1A1ENPP2CA1CA2
SCHEMBL1998090 0.79 ALDH1A1 (0.56) TAAR1ALDH1A1CA1CA2CPS1
SCHEMBL318375 0.78 TAAR1 (0.45) TAAR1ALDH1A1ENPP2CA1CA2
SCHEMBL29454619 0.75 CA1 (0.48) ENPP2CA1CA2CPS1CYP1A1
SCHEMBL931782 0.75 CA1 (0.48) ENPP2CA1CA2CPS1CYP1A1
SCHEMBL29904242 0.75 CPS1 (0.49) ALDH1A1ENPP2CA1CA2CPS1
SCHEMBL42550 0.75 CPS1 (0.49) ALDH1A1ENPP2CA1CA2CPS1
SCHEMBL3537612 0.75 TUBB1 (0.34) ENPP2CA1CA2TUBB4ATUBB
SCHEMBL24861772 0.74 CYP3A4 (0.54) TAAR1ALDH1A1CA1CA2TUBB1

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-20240174660-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-05-30 US disclosed
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2024-02-22 US disclosed
US-11905281-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2024-02-20 US disclosed
WO-2023118267-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2023-06-29 WO disclosed
US-11285135-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2022-03-29 US disclosed
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2021-01-14 US disclosed
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2020-03-05 US disclosed
US-20200055839-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2020-02-20 US disclosed
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2020-02-20 US disclosed
US-10519146-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2019-12-31 US disclosed
EP-3565809-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION ViiV Healthcare UK (No.5) Limited (GB) 2019-11-13 EP disclosed
US-20180334454-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2018-11-22 US disclosed
WO-2018127800-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-07-12 WO disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 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 (11 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-20240174660-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TAAR1 4726/4885ALDH1A1 4162/4885ENPP2 698/4885
US-10519146-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS TAAR1 4726/4885ALDH1A1 4162/4885ENPP2 698/4885
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TAAR1 4698/4885ALDH1A1 3939/4885ENPP2 789/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS TAAR1 4690/4885ALDH1A1 2150/4885ENPP2 1461/4885
US-20200055839-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION TYMP, TYMS, DUT TAAR1 3997/4885ALDH1A1 187/4885ENPP2 2123/4885
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, HRAS, APC TAAR1 4501/4885ALDH1A1 1221/4885ENPP2 3352/4885
US-20180334454-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TAAR1 4726/4885ALDH1A1 4162/4885ENPP2 698/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TAAR1 4726/4885ALDH1A1 4162/4885ENPP2 698/4885
US-11905281-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS TAAR1 4726/4885ALDH1A1 4162/4885ENPP2 698/4885
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TAAR1 4726/4885ALDH1A1 4162/4885ENPP2 698/4885
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TAAR1 4724/4885ALDH1A1 4155/4885ENPP2 993/4885

“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.