Sugi Predict

Sugi Predict / Compounds / SCHEMBL21777642

SCHEMBL21777642

SCHEMBL21777642

N[C@@]1(C(=O)O)CCN(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.38
▸ GRM2 Q14416 3/20 0.37
▸ GRM3 Q14832 3/20 0.37
▸ GRM4 Q14833 8/20 0.36
▸ CYP2C19 P33261 4/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ GRM8 O00222 2/20 0.35
▸ GRM6 O15303 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ GRM1 Q13255 1/20 0.35

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
SCHEMBL4782515 1.00 NSD2 (0.38) NSD2GRM2GRM3GRM4CYP2C19
SCHEMBL6293711 0.86 NSD2 (0.41) NSD2GRM2GRM3GRM4CYP2C19
SCHEMBL8276222 0.80 ARG1 (0.39) NSD2GRM2GRM3CYP2C19CYP1A2
SCHEMBL8275939 0.76 ALDH1A1 (0.50) CYP2C19CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL2716357 0.76 NSD2 (0.39) NSD2GRM2GRM3GRM4CYP2C19
SCHEMBL476448 0.76 ALDH1A1 (0.33) NSD2ALDH1A1
SCHEMBL29418104 0.75 HSD11B1 (0.42) CYP2C19ALDH1A1GRM5MAPK1
SCHEMBL23049641 0.74 USP2 (0.43) NSD2CYP2C19CYP1A2ALDH1A1TDP1
SCHEMBL17163833 0.74 KDM1A (0.36) CYP2C19ALDH1A1MAPK1
SCHEMBL17163840 0.74 KDM1A (0.36) CYP2C19ALDH1A1MAPK1

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 NSD2 2704/4885GRM2 4171/4885GRM3 4391/4885
US-20200109148-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, MYLK2, TNNT2 NSD2 2704/4885GRM2 4171/4885GRM3 4391/4885
US-20230090256-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, MYLK2, TNNT2 NSD2 2704/4885GRM2 4171/4885GRM3 4391/4885
US-11952381-B2 Cardiac sarcomere inhibitors TNNI3, MYLK2, TNNT2 NSD2 2704/4885GRM2 4171/4885GRM3 4391/4885

“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.