SCHEMBL21777494

SCHEMBL21777494

O=C(O)C(NCc1ccc(C(F)(F)F)cc1)C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGA5 P08648 1/20 0.47
TEAD1 P28347 2/20 0.44
ALDH1A1 P00352 1/20 0.43
EPHX2 P34913 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
PTPN1 P18031 1/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
FFAR1 O14842 1/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
P2RX7 Q99572 2/20 0.41
SRD5A2 P31213 1/20 0.40
DPP4 P27487 1/20 0.40

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
SCHEMBL21777664 1.00 ITGB3 (0.47) ITGB3ITGB1ITGAVITGA5TEAD1
SCHEMBL21789150 0.86 ITGB3 (0.45) ITGB3ITGB1ITGAVITGA5TEAD1
SCHEMBL21865730 0.86 ITGB3 (0.45) ITGB3ITGB1ITGAVITGA5TEAD1
SCHEMBL21777464 0.85 ALDH1A1 (0.43) TEAD1ALDH1A1EPHX2PPARGPPARA
SCHEMBL17147653 0.80 ITGB3 (0.53) ITGB3ITGB1ITGAVITGA5ALDH1A1
SCHEMBL28559731 0.79 PPARG (0.44) TEAD1EPHX2PPARGPPARAPTPN1
SCHEMBL1410181 0.79 ITGB3 (0.55) ITGB3ITGB1ITGAVITGA5ALDH1A1
SCHEMBL29228688 0.79 ITGB3 (0.55) ITGB3ITGB1ITGAVITGA5ALDH1A1
SCHEMBL3457480 0.78 ITGB3 (0.58) ITGB3ITGB1ITGAVITGA5HRH3
Hydrochloric Acid SCHEMBL8843403 0.77 EPHX1 (0.53) ITGB3ITGB1ITGAVITGA5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11952381-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2024-04-09 US disclosed
US-20230090256-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2023-03-23 US disclosed
US-11414424-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2022-08-16 US disclosed
EP-3843842-A1 CARDIAC SARCOMERE INHIBITORS Cytokinetics, Inc. (US) 2021-07-07 EP disclosed
CN-112867539-A Cardiac muscle segment inhibitor 赛特凯恩蒂克公司 2021-05-28 CN disclosed
US-20200109148-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2020-04-09 US disclosed
WO-2020047447-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. (US) 2020-03-05 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-11414424-B2 Cardiac sarcomere inhibitors TNNI3, MYLK2, TNNT2 ITGB3 1724/4885ITGB1 1308/4885ITGAV 2968/4885
US-20200109148-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, MYLK2, TNNT2 ITGB3 1724/4885ITGB1 1308/4885ITGAV 2968/4885
US-20230090256-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, MYLK2, TNNT2 ITGB3 1724/4885ITGB1 1308/4885ITGAV 2968/4885
US-11952381-B2 Cardiac sarcomere inhibitors TNNI3, MYLK2, TNNT2 ITGB3 1724/4885ITGB1 1308/4885ITGAV 2968/4885

“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.