SCHEMBL21777408

SCHEMBL21777408

O=C(NC1(C(=O)O)CCN(Cc2ccccc2)C1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CYP2D6 P10635 7/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 4/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TGM2 P21980 1/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
BCHE P06276 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL21777407 1.00 CTSL (0.47) CTSLCTSBCTSSCYP2D6ALDH1A1
SCHEMBL28571926 0.90 CTSB (0.47) CTSLCTSBCTSSCYP2D6ALDH1A1
SCHEMBL28571925 0.90 CTSB (0.47) CTSLCTSBCTSSCYP2D6ALDH1A1
SCHEMBL25199383 0.84 CTSS (0.51) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL25199386 0.84 CTSS (0.51) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL22961966 0.83 NPFFR1 (0.53) CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL23120819 0.83 NPFFR1 (0.53) CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL25265162 0.82 CTSL (0.44) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL25188402 0.82 CTSL (0.44) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL143763 0.81 CTSS (0.57) CTSLCTSBCTSSALDH1A1TSHR

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 6 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
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 CTSL 3195/4885CTSB 2435/4885CTSS 3338/4885
US-20200109148-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, MYLK2, TNNT2 CTSL 3195/4885CTSB 2435/4885CTSS 3338/4885
US-20230090256-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, MYLK2, TNNT2 CTSL 3195/4885CTSB 2435/4885CTSS 3338/4885
US-11952381-B2 Cardiac sarcomere inhibitors TNNI3, MYLK2, TNNT2 CTSL 3195/4885CTSB 2435/4885CTSS 3338/4885

“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.