SCHEMBL13330263

SCHEMBL13330263

COC(=O)[C@@H](Cc1ccc(I)cc1)NCCCS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 1/20 0.40
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA2 P00918 1/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
TSHR P16473 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37

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
SCHEMBL929646 1.00 PTPRB (0.40) PTPRBCA12CA7CA9CA14
SCHEMBL12226563 0.89 ATM (0.47) PTPRBCA12CA7CA9CA14
SCHEMBL12226761 0.88 CA12 (0.52) PTPRBCA12CA7CA9CA14
SCHEMBL14099736 0.88 LNPEP (0.42) PTPRBCA12CA7CA9CA14
SCHEMBL14285091 0.87 CA12 (0.52) CA12CA7CA9CA14CA2
SCHEMBL5779902 0.87 HDAC1 (0.40) CA12CA7CA9CA14CA2
SCHEMBL10231021 0.85 ALDH1A1 (0.47) PTPRBCA12CA7CA9CA14
SCHEMBL16472042 0.85 ATM (0.46) PTPRBCA12CA7CA9CA14
SCHEMBL918451 0.85 ALB (0.41) SIGMAR1
SCHEMBL14603038 0.79 SIGMAR1 (0.37) PTPRBSIGMAR1

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-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-8642801-B2 Methods and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-02-04 US disclosed
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-05-06 US disclosed
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-05-06 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 (2 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-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 PTPRB 3416/4885CA12 998/4885CA7 967/4885
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 PTPRB 3416/4885CA12 998/4885CA7 967/4885

“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.