SCHEMBL21789150

SCHEMBL21789150

COC(=O)[C@@H](NCc1ccc(C(F)(F)F)cc1)C1CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGAV P06756 1/20 0.45
ITGA5 P08648 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TEAD1 P28347 1/20 0.42
TMEM97 Q5BJF2 2/20 0.41
P2RX7 Q99572 1/20 0.41
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LSS P48449 1/20 0.39
NOS3 P29474 1/20 0.39

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
SCHEMBL21865730 1.00 ITGB3 (0.45) ITGB3ITGB1ITGAVITGA5ALDH1A1
SCHEMBL21777405 0.86 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATMEM97P2RX7
SCHEMBL21777664 0.86 ITGB3 (0.47) ITGB3ITGB1ITGAVITGA5ALDH1A1
SCHEMBL21777494 0.86 ITGB3 (0.47) ITGB3ITGB1ITGAVITGA5ALDH1A1
SCHEMBL27308454 0.83 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA5ALDH1A1
SCHEMBL23224335 0.78 SLC6A5 (0.43) ALDH1A1MEN1KMT2ATEAD1KDM4E
SCHEMBL31246050 0.77 KMT2A (0.50) ITGB3ITGB1ITGAVITGA5ALDH1A1
SCHEMBL16260588 0.73 HDAC3 (0.58) ITGB3ITGB1ITGAVITGA5
SCHEMBL10006263 0.72 SLC6A3 (0.59)
SCHEMBL21865601 0.72 P2RX7 (0.42) ALDH1A1TEAD1P2RX7KDM4ECYP3A4

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-20250276976-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2025-09-04 US disclosed
US-12275741-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2025-04-15 US disclosed
US-20240368172-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2024-11-07 US disclosed
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
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 (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-11414424-B2 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-12275741-B2 Cardiac sarcomere inhibitors TNNI3, MYLK2, TNNT2 ITGB3 1724/4885ITGB1 1308/4885ITGAV 2968/4885
US-20240368172-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, MYLK2, TNNT2 ITGB3 1724/4885ITGB1 1308/4885ITGAV 2968/4885
US-20250276976-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.