SCHEMBL15905955

SCHEMBL15905955

CC(=O)C(=O)Nc1ccc(C[C@H](C)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.49
FFAR1 O14842 1/20 0.46
TBXAS1 P24557 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PPARA Q07869 1/20 0.41
HDAC1 Q13547 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
ATM Q13315 1/20 0.40
PTGS1 P23219 2/20 0.40

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
SCHEMBL11848945 0.87 MAPT (0.53) KMT2ANPC1RAB9AMEN1FFAR1
SCHEMBL22281922 0.84 KMT2A (0.49) KMT2ANPC1RAB9AMEN1FFAR1
SCHEMBL12154904 0.84 SLC7A5 (0.57) KMT2AMEN1SMN1; SMN2MAPTPTGS1
SCHEMBL826531 0.84 SLC7A5 (0.57) KMT2AMEN1SMN1; SMN2MAPTPTGS1
SCHEMBL17655738 0.81 ITGB1 (0.47) LMNA
SCHEMBL11237591 0.80 TBXAS1 (0.59) FFAR1TBXAS1MMEACEPTGS1
SCHEMBL14679515 0.79 KMT2A (0.38) KMT2ANPC1RAB9AMEN1RXFP1
SCHEMBL11856346 0.78 MEN1 (0.58) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL14032364 0.78 MEN1 (0.58) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL12879867 0.78 FFAR1 (0.49) KMT2ANPC1RAB9AMEN1FFAR1

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
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-8846876-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides Abrx, Inc. (US) 2014-09-30 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 KMT2A 1481/4885NPC1 4636/4885RAB9A 4110/4885

“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.