SCHEMBL15905964

SCHEMBL15905964

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.51
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
EPHX2 P34913 1/20 0.45
PPARG P37231 1/20 0.45
PTGS1 P23219 3/20 0.43
PTGS2 P35354 3/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 2/20 0.43
AKR1C3 P42330 2/20 0.43
CXCR1 P25024 2/20 0.43
CXCR2 P25025 2/20 0.43
ALB P02768 1/20 0.43
ESR1 P03372 1/20 0.43
ALOX5 P09917 1/20 0.43
RARB P10826 1/20 0.43
ADRB3 P13945 1/20 0.43
NFKB1 P19838 1/20 0.43
HTR2A P28223 1/20 0.43
NR1I3 Q14994 1/20 0.43

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 1.00 TBXAS1 (0.51) TBXAS1CES2CES1EPHX2PPARG
SCHEMBL12142803 0.85 KMT2A (0.55) TBXAS1EPHX2PPARGPTGS1PTGS2
SCHEMBL19485698 0.85 KMT2A (0.55) TBXAS1EPHX2PPARGPTGS1PTGS2
SCHEMBL11237591 0.84 TBXAS1 (0.59) TBXAS1PTGS1PTGS2LMNACYP2C9
SCHEMBL16360424 0.84 EPHX2 (0.47) TBXAS1EPHX2PPARGPTGS1PTGS2
SCHEMBL14640265 0.83 ALDH1A1 (0.55) TBXAS1EPHX2PPARGPTGS1PTGS2
SCHEMBL15905947 0.83 CES2 (0.55) TBXAS1CES2CES1EPHX2PPARG
SCHEMBL24294931 0.82 TBXAS1 (0.48) TBXAS1EPHX2PPARGPTGS1PTGS2
SCHEMBL826649 0.82 SLC7A5 (0.62) CES2CES1PTGS1PTGS2LMNA
SCHEMBL12142607 0.82 SLC7A5 (0.62) CES2CES1PTGS1PTGS2LMNA

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

“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.