Sugi Predict

Sugi Predict / Compounds / SCHEMBL15905970

SCHEMBL15905970

SCHEMBL15905970

CCOC(=O)C(C)(Cc1ccc(SSc2ccc(CC(C)(C(=O)OCC)C(=O)OCC)cc2)cc1)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ OPRK1 P41145 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ PPIB P23284 1/20 0.38
▸ PPIA P62937 1/20 0.38
▸ PPID Q08752 1/20 0.38
▸ PPIG Q13427 1/20 0.38
▸ PIN1 Q13526 1/20 0.37
▸ PTPRB P23467 3/20 0.37
▸ HDAC4 P56524 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ NPC1 O15118 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
SCHEMBL7380944 0.89 MMP8 (0.55) MMP8ALDH1A1RECQLOPRK1CYP1A2
SCHEMBL28737716 0.85 MMP8 (0.60) MMP8ALDH1A1RECQLOPRK1CYP1A2
SCHEMBL2370973 0.83 MMP8 (0.59) MMP8ALDH1A1RECQLOPRK1CYP1A2
SCHEMBL7362869 0.83 MMP8 (0.59) MMP8ALDH1A1RECQLOPRK1CYP1A2
SCHEMBL458395 0.82 MMP8 (0.57) MMP8ALDH1A1RECQLOPRK1CYP1A2
SCHEMBL28753087 0.82 MMP8 (0.57) MMP8ALDH1A1RECQLCYP1A2NPC1
SCHEMBL8710582 0.81 MMP8 (0.79) MMP8ALDH1A1RECQLTSHRPPID
SCHEMBL24733330 0.81 MMP8 (0.56) MMP8ALDH1A1RECQLOPRK1CYP1A2
SCHEMBL12142745 0.79 MMP8 (0.55) MMP8ALDH1A1RECQLOPRK1CYP1A2
SCHEMBL1677466 0.79 MMP8 (0.57) MMP8ALDH1A1RECQLCYP1A2CYP3A4

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
US-9637441-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-05-02 — — US disclosed
EP-1828224-B1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX INC (US) 2016-04-06 — — EP disclosed
US-20150094457-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2015-04-02 — — US disclosed
US-8859802-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2014-10-14 — — US disclosed
US-8791231-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2014-07-29 — — US 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 (1 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-20150094457-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES PTMS, DAO, DNPEP MMP8 2748/4885ALDH1A1 3172/4885RECQL 2816/4885

“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.