Sugi Predict

Sugi Predict / Compounds / SCHEMBL4990636

SCHEMBL4990636

SCHEMBL4990636

CCC(C)C(CN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.42
▸ SLC1A3 P43003 2/20 0.40
▸ SLC1A2 P43004 2/20 0.40
▸ SLC1A1 P43005 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GABRR1 P24046 2/20 0.39
▸ MME P08473 2/20 0.38
▸ CPA1 P15085 2/20 0.38
▸ ACE2 Q9BYF1 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.35
▸ SLC7A5 Q01650 1/20 0.34
▸ CACNA2D1 P54289 2/20 0.34
▸ CACNB3 P54284 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ CACNA2D2 Q9NY47 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TP53 P04637 1/20 0.33

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
SCHEMBL22636075 1.00 ACE (0.42) ACESLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL4738608 1.00 ACE (0.42) ACESLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL4981443 0.86 SLC1A3 (0.38) ACESLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL28781104 0.85 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1GABRR1TDP1
SCHEMBL27885645 0.85 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1GABRR1TDP1
SCHEMBL4987978 0.85 SLC1A3 (0.36) ACESLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL16316760 0.83 GABBR2 (0.34) ACEALDH1A1GABRR1MMECPA1
SCHEMBL2944717 0.82 ACE (0.46) ACESLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL13040584 0.82 ACE (0.46) ACESLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL12260419 0.82 ACE (0.46) ACESLC1A3SLC1A2SLC1A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 — — US claimed
EP-3966226-B1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AG (DE) 2025-12-24 — — EP disclosed
US-12503491-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2025-12-23 — — US disclosed
US-20240124522-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2024-04-18 — — US disclosed
US-20230303647-A1 CYCLIC CHEMERIN-9 DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2023-09-28 — — US disclosed
EP-4196143-A1 CYCLIC CHEMERIN-9 DERIVATIVES Bayer Aktiengesellschaft (DE) 2023-06-21 — — EP disclosed
US-11667675-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2023-06-06 — — US disclosed
EP-4011904-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF Bayer Aktiengesellschaft (DE) 2022-06-15 — — EP disclosed
EP-3966226-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF Bayer Aktiengesellschaft (DE) 2022-03-16 — — EP disclosed
WO-2022034057-A1 CYCLIC CHEMERIN-9 DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2022-02-17 — — WO disclosed
WO-2020225095-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-11-12 — — WO disclosed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 — — US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 — — US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 — — US disclosed
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 — — EP disclosed
CN-1228312-C Process for synthesizing beta-amino acid using ketone as raw material CHINESE ACAD INST CHEMISTRY (CN) 2005-11-23 — — CN disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 — — US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 — — US disclosed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 — — WO disclosed
CN-1511826-A Process for synthesizing beta-amino acid using ketone as raw material 中国科学院化学研究所 2004-07-14 — — CN 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 (7 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 ACE 2301/4885SLC1A3 118/4885SLC1A2 57/4885
US-12503491-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 ACE 22/4885SLC1A3 4360/4885SLC1A2 4743/4885
US-20230303647-A1 CYCLIC CHEMERIN-9 DERIVATIVES CMKLR1, CMKLR2, CCL2 ACE 3161/4885SLC1A3 3134/4885SLC1A2 3862/4885
US-11667675-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 ACE 22/4885SLC1A3 4360/4885SLC1A2 4743/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ACE 1863/4885SLC1A3 128/4885SLC1A2 42/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ACE 2072/4885SLC1A3 104/4885SLC1A2 29/4885
US-20240124522-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF MASP2, SERPINB1, SPINT2 ACE 22/4885SLC1A3 4360/4885SLC1A2 4743/4885

“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.