SCHEMBL4650884

SCHEMBL4650884

CCCCCNC(=O)CC(NS(=O)(=O)c1ccccc1)c1ccc(OCC(=O)O)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.49
ALDH1A1 P00352 3/20 0.46
MMP2 P08253 3/20 0.44
MMP9 P14780 3/20 0.44
MMP8 P22894 3/20 0.44
MMP12 P39900 3/20 0.44
MMP14 P50281 3/20 0.44
S1PR3 Q99500 1/20 0.42
DHODH Q02127 1/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4651379 0.90 ALDH1A1 (0.58) PTPN1ALDH1A1LMNA
SCHEMBL7054363 0.90 PTPN1 (0.46) PTPN1ALDH1A1MMP2MMP9LMNA
Benzene SCHEMBL4650214 0.90 PTPN1 (0.53) PTPN1ALDH1A1S1PR3DHODHLMNA
SCHEMBL4651105 0.90 PTPN1 (0.44) PTPN1ALDH1A1MMP2MMP9LMNA
SCHEMBL4650271 0.88 BDKRB1 (0.45) PTPN1ALDH1A1MMP2MMP9MMP8
SCHEMBL4651111 0.88 ALDH1A1 (0.41) PTPN1ALDH1A1LMNAATML3MBTL1
SCHEMBL4650872 0.88 ALDH1A1 (0.60) PTPN1ALDH1A1
SCHEMBL7050019 0.86 ALDH1A1 (0.54) PTPN1ALDH1A1
SCHEMBL4651316 0.82 ALDH1A1 (0.48) PTPN1ALDH1A1MMP2MMP9LMNA
SCHEMBL4650322 0.81 ALDH1A1 (0.48) ALDH1A1L3MBTL1

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 446/4885MMP2 1609/4885

“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.