SCHEMBL4651105

SCHEMBL4651105

O=C(O)COc1ccc(C(CC(=O)NCCCc2ccccc2)NS(=O)(=O)c2ccccc2)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.44
ALDH1A1 P00352 4/20 0.44
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
TBXA2R P21731 1/20 0.40
TBXAS1 P24557 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
BDKRB1 P46663 1/20 0.40
CASP1 P29466 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL7054363 0.97 PTPN1 (0.46) PTPN1ALDH1A1THRBL3MBTL1LMNA
SCHEMBL4650271 0.95 BDKRB1 (0.45) PTPN1ALDH1A1L3MBTL1LMNATBXA2R
SCHEMBL7050019 0.93 ALDH1A1 (0.54) PTPN1ALDH1A1TBXA2RTBXAS1TP53
SCHEMBL4650884 0.90 PTPN1 (0.49) PTPN1ALDH1A1L3MBTL1LMNAMMP2
SCHEMBL4651379 0.89 ALDH1A1 (0.58) PTPN1ALDH1A1LMNAMAPTHPGD
SCHEMBL4651111 0.88 ALDH1A1 (0.41) PTPN1ALDH1A1L3MBTL1LMNABDKRB1
SCHEMBL4651212 0.87 ALDH1A1 (0.45) PTPN1ALDH1A1THRBL3MBTL1LMNA
SCHEMBL4651112 0.87 LMNA (0.56) ALDH1A1THRBL3MBTL1LMNATBXA2R
SCHEMBL4650231 0.87 ALDH1A1 (0.45) ALDH1A1THRBL3MBTL1LMNATBXA2R
SCHEMBL4650872 0.86 ALDH1A1 (0.60) PTPN1ALDH1A1TP53HPGDKMT2A

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-6586467-B2 Tyrosine phosphatase inhibitors useful in the treatment or prevention of Type II Diabetes Mellitus ARRAY BIOPHARMA INC. 2003-07-01 US claimed
US-20020040003-A1 Preparation of phosphatase inhibitors ARRAY BIOPHARMA INC. 2002-04-04 US claimed
EP-1301474-B1 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2008-09-10 EP disclosed
US-6586467-B2 Tyrosine phosphatase inhibitors useful in the treatment or prevention of Type II Diabetes Mellitus ARRAY BIOPHARMA INC. 2003-07-01 US disclosed
US-20020040003-A1 Preparation of phosphatase inhibitors ARRAY BIOPHARMA INC. 2002-04-04 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-20020040003-A1 Preparation of phosphatase inhibitors PTPRS, PTPRO, PTPRR PTPN1 5/4885ALDH1A1 446/4885THRB 733/4885

“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.