SCHEMBL2558294

SCHEMBL2558294

C[C@H](CO)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.50
ABCB11 O95342 1/20 0.44
AOC3 Q16853 1/20 0.42
HTT P42858 1/20 0.42
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FFAR1 O14842 1/20 0.39
POLB P06746 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 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
SCHEMBL8056888 1.00 TRPA1 (0.50) TRPA1ABCB11AOC3HTTESR1
SCHEMBL2558297 1.00 TRPA1 (0.50) TRPA1ABCB11AOC3HTTESR1
SCHEMBL11857244 0.88 CA1 (0.45) TRPA1ABCB11HTTKDM4EALDH1A1
SCHEMBL2641075 0.87 ABCB11 (0.52) TRPA1ABCB11ESR1ESR2FFAR1
SCHEMBL1839872 0.82 TRPA1 (0.46) TRPA1AOC3HTTESR1ESR2
SCHEMBL1960013 0.82 TRPA1 (0.46) TRPA1AOC3HTTESR1ESR2
SCHEMBL1834256 0.82 TRPA1 (0.46) TRPA1AOC3HTTESR1ESR2
SCHEMBL10396706 0.80 ABCB11 (0.47) TRPA1ABCB11HTTESR1ESR2
SCHEMBL9694221 0.80 ABCB11 (0.47) TRPA1ABCB11ESR1ESR2FFAR1
SCHEMBL6933308 0.80 ABCB11 (0.47) TRPA1ABCB11ESR1ESR2ALDH1A1

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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026651-A1 AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS CYTOKINETICS, INC. 2023-01-26 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11369565-B2 Amino-pyrimidine skeletal muscle modulators CYTOKINETICS, INC. (US) 2022-06-28 US disclosed
CN-107266419-B Certain amino-pyridazines, compositions thereof, and methods of use thereof 赛特凯恩蒂克公司 2021-05-11 CN disclosed
US-20210045997-A1 AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS CYTOKINETICS, INC. 2021-02-18 US disclosed
CN-112047926-A Certain amino-pyrimidines, compositions thereof and methods of use thereof 赛特凯恩蒂克公司 2020-12-08 CN disclosed
US-10765624-B2 Amino-pyrimidine skeletal muscle modulators CYTOKINETICS, INC. (US) 2020-09-08 US disclosed
EP-3698795-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE Cytokinetics, Inc. (US) 2020-08-26 EP disclosed
EP-3698795-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE Cytokinetics, Inc. (US) 2020-08-26 EP disclosed
CN-105712974-B Certain amino-pyrimidines, compositions thereof and methods of use thereof 赛特凯恩蒂克公司 2020-07-31 CN disclosed
US-20120289698-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. 2012-11-15 US disclosed
US-20120289698-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. 2012-11-15 US disclosed
US-20120289698-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. 2012-11-15 US disclosed
EP-1819708-B1 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-01-11 EP disclosed
WO-2011133882-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 WO disclosed
WO-2011133882-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 WO disclosed
WO-2011133920-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 WO disclosed
WO-2011133920-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 WO disclosed
WO-2011133888-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 WO disclosed
WO-2011133888-A1 CERTAIN AMINO-PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 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 (6 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-11369565-B2 Amino-pyrimidine skeletal muscle modulators MUSK, PYGM, TNNC1 TRPA1 3824/4885ABCB11 3115/4885AOC3 3178/4885
US-10765624-B2 Amino-pyrimidine skeletal muscle modulators MUSK, PYGM, TNNC1 TRPA1 3736/4885ABCB11 2764/4885AOC3 3525/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 TRPA1 3831/4885ABCB11 2337/4885AOC3 1363/4885
US-20230026651-A1 AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS MUSK, PYGM, TNNC1 TRPA1 3736/4885ABCB11 2764/4885AOC3 3525/4885
US-20210045997-A1 AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS MUSK, PYGM, TNNC1 TRPA1 3824/4885ABCB11 3115/4885AOC3 3178/4885
US-20120289698-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE F12, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ZYX TRPA1 3085/4885ABCB11 57/4885AOC3 1381/4885

“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.