Sugi Predict

Sugi Predict / Compounds / SCHEMBL6808670

SCHEMBL6808670

SCHEMBL6808670

C[C@@H](CC(=O)O)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ EPHX1 P07099 3/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ MMP2 P08253 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ REN P00797 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SHBG P04278 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL1208925 1.00 ALDH1A1 (0.55) ALDH1A1EPHX1CA12CA1CA2
SCHEMBL8651989 1.00 ALDH1A1 (0.55) ALDH1A1EPHX1CA12CA1CA2
SCHEMBL5967438 0.89 — —
SCHEMBL4623975 0.85 ALDH1A1 (0.42) ALDH1A1EPHX1CA12CA1CA2
SCHEMBL6769503 0.84 ALDH1A1 (0.42) ALDH1A1EPHX1CA12CA1CA2
SCHEMBL6559712 0.83 ALDH1A1 (0.37) ALDH1A1RENACESMN1; SMN2
SCHEMBL4742218 0.83 ALDH1A1 (0.42) ALDH1A1EPHX1CA12CA1CA2
SCHEMBL17715691 0.83 ALDH1A1 (0.42) ALDH1A1EPHX1CA12CA1CA2
SCHEMBL27474754 0.81 ALDH1A1 (0.50) ALDH1A1EPHX1SMN1; SMN2
SCHEMBL13999779 0.81 EPHX1 (0.48) ALDH1A1EPHX1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790146-B Pharmaceutical compounds 阿尔麦克探索有限公司 2022-08-23 — — CN disclosed
US-20040204367-A1 Pipecolic acid derivatives of proline threonine amides useful for the treatment of rheumatoid arthritis G.D. SEARLE & CO. (US) 2004-10-14 — — US disclosed
US-6613880-B2 Autoimmune diseases; inflammatory conditions; competitive binding with Human Leukocyte Antigen displacing disease-inducing endogenous peptides PHARMACIA CORPORATION 2003-09-02 — — US disclosed
US-20010027247-A1 Pipecolic acid derivatives of proline threonine amides useful for the treatment of rheumatoid arthritis G.D. SEARLE & CO., (US) 2001-10-04 — — US disclosed
WO-1996040753-A1 PIPECOLIC ACID DERIVATIVES OF PROLINE THREONINE AMIDES USEFUL FOR THE TREATMENT OF RHEUMATOID ARTHRITIS G.D. SEARLE & CO. (US) 1996-12-19 — — 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 (2 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-20010027247-A1 Pipecolic acid derivatives of proline threonine amides useful for the treatment of rheumatoid arthritis ARGLU1, PRR12, PTMS ALDH1A1 3744/4885EPHX1 2405/4885CA12 1213/4885
US-20040204367-A1 Pipecolic acid derivatives of proline threonine amides useful for the treatment of rheumatoid arthritis ARGLU1, PRR12, PTMS ALDH1A1 3744/4885EPHX1 2405/4885CA12 1213/4885

“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.