SCHEMBL15905947

SCHEMBL15905947

CCC(=O)C(=O)c1ccc(CC(C)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
TBXAS1 P24557 2/20 0.46
EPHX2 P34913 1/20 0.43
PPARG P37231 1/20 0.43
FFAR1 O14842 2/20 0.41
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
AKR1C3 P42330 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
ALB P02768 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX5 P09917 1/20 0.41
RARB P10826 1/20 0.41
ADRB3 P13945 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL13594789 0.83 TBXAS1 (0.51) CES2CES1TBXAS1EPHX2PPARG
SCHEMBL15905964 0.83 TBXAS1 (0.51) CES2CES1TBXAS1EPHX2PPARG
SCHEMBL12142763 0.82 CES2 (0.53) CES2CES1EPHX2PPARGPTGS1
SCHEMBL3736020 0.82 SLC7A5 (0.57) CES2CES1PTGS1PTGS2LMNA
SCHEMBL12142616 0.82 SLC7A5 (0.57) CES2CES1PTGS1PTGS2LMNA
SCHEMBL11237591 0.82 TBXAS1 (0.59) TBXAS1FFAR1PTGS1PTGS2LMNA
SCHEMBL16360424 0.81 EPHX2 (0.47) TBXAS1EPHX2PPARGFFAR1PTGS1
SCHEMBL14640265 0.80 ALDH1A1 (0.55) TBXAS1EPHX2PPARGPTGS1PTGS2
SCHEMBL12142803 0.79 KMT2A (0.55) TBXAS1EPHX2PPARGPTGS1PTGS2
SCHEMBL19485698 0.79 KMT2A (0.55) TBXAS1EPHX2PPARGPTGS1PTGS2

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 CES2 3332/4885CES1 3673/4885TBXAS1 2007/4885

“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.