SCHEMBL509145

SCHEMBL509145

BrCc1ccc(SSc2ccc(CBr)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MGLL Q99685 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CHKA P35790 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A4 P31645 1/20 0.30

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
SCHEMBL12337678 0.88 ALDH1A1 (0.39) TRPA1ALDH1A1TSHRSMN1; SMN2CHKA
SCHEMBL21345261 0.82 IDO1 (0.52)
SCHEMBL7561792 0.82 TSHR (0.48) TRPA1ALDH1A1TSHRHPGDCES2
SCHEMBL131361 0.80 ALDH1A1 (0.67) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL385188 0.78 SLC6A4 (0.52) TRPA1ALDH1A1TSHRMAPTMEN1
SCHEMBL21088432 0.78 TRPA1 (0.43) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL9303786 0.78 TRPA1 (0.43) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL21545797 0.77 EHMT2 (0.59) TRPA1ALDH1A1TSHRMAPTHPGD
SCHEMBL10996987 0.76 SLC6A4 (0.50) TRPA1ALDH1A1TSHRMAPTMEN1
SCHEMBL6180311 0.74 ALDH1A1 (0.59) TRPA1ALDH1A1TSHRMAPTHPGD

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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112592406-B Fixed-point conjugate of anti-CD 24 antibody and diethylazo-onium dialkoxide molecule and application thereof 中国药科大学 2023-07-11 CN disclosed
CN-108047086-B Compositions containing unnatural amino acids and polypeptides, methods involving unnatural amino acids and polypeptides, and uses thereof AMBRX公司 2023-06-16 CN disclosed
WO-2019169953-A1 CD24-TARGETING MONOCLONAL ANTIBODY AND DIETHYLAMINE AZO ONIUM DIOL SALT CONJUGATE AND USE THEREOF 中国药科大学 2019-09-12 WO disclosed
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-9637441-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-05-02 US disclosed
EP-2528901-B9 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP 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
EP-1828224-B1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX INC (US) 2016-04-06 EP disclosed
EP-2528901-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-05-27 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-7385028-B2 Modified non-natural amino acid polypeptides typically include at least one oxime, carbonyl, dicarbonyl, and/or hydroxylamine group; therapeutic, diagnostic, and other biotechnology uses AMBRX, INC (US) 2008-06-10 US disclosed
US-7385028-B2 Modified non-natural amino acid polypeptides typically include at least one oxime, carbonyl, dicarbonyl, and/or hydroxylamine group; therapeutic, diagnostic, and other biotechnology uses AMBRX, INC (US) 2008-06-10 US disclosed
US-7332571-B2 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-02-19 US disclosed
US-7332571-B2 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-02-19 US disclosed
EP-1828224-A2 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES Ambrx, Inc. (US) 2007-09-05 EP disclosed
US-20060217532-A1 Incorporating a non-natural amino acid having oxime, carbonyl, dicarbonyl, and/or hydroxylamine group into a terminal or internal position within a polypeptide AMBRX, INC. (US) 2006-09-28 US disclosed
US-20060217289-A1 Administering a polypeptide having an oxime-containing non-natural amino acid, from a translation system of: a polynucleotide comprising a selector codon encoding the polypeptide, a tRNA comprising the oxime-containing amino acid AMBRX, INC. (US) 2006-09-28 US disclosed
WO-2006069246-A9 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX INC (US) 2006-08-31 WO disclosed
US-20060194256-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2006-08-31 US disclosed
WO-2006069246-A2 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2006-06-29 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 (4 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-20060194256-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, DAO, PTMS TRPA1 4544/4885ALDH1A1 2338/4885TSHR 1183/4885
US-20150094457-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES PTMS, DAO, DNPEP TRPA1 4774/4885ALDH1A1 3172/4885TSHR 1876/4885
US-20060217289-A1 Administering a polypeptide having an oxime-containing non-natural amino acid, from a translation system of: a polynucleotide comprising a selector codon encoding the polypeptide, a tRNA comprising the oxime-containing amino acid DAO, OSGEP, OTC TRPA1 3967/4885ALDH1A1 3570/4885TSHR 732/4885
US-20060217532-A1 Incorporating a non-natural amino acid having oxime, carbonyl, dicarbonyl, and/or hydroxylamine group into a terminal or internal position within a polypeptide DAO, DNPEP, PTMS TRPA1 4736/4885ALDH1A1 2529/4885TSHR 1177/4885

“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.