SCHEMBL4650398

SCHEMBL4650398

CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.66
PLG P00747 3/20 0.55
CTSS P25774 4/20 0.54
CTSB P07858 3/20 0.54
CTSK P43235 3/20 0.54
KLKB1 P03952 1/20 0.54
CTSL P07711 4/20 0.51
GRIA1 P42261 1/20 0.50
PTPN1 P18031 2/20 0.48
PTPN22 Q9Y2R2 1/20 0.48
FOLH1 Q04609 4/20 0.48
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47

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
SCHEMBL4650962 0.94 L3MBTL1 (0.58) L3MBTL1PLGCTSSCTSBCTSK
SCHEMBL4651314 0.87 TACR2 (0.54) L3MBTL1PLGKLKB1PTPN1PTPN22
SCHEMBL6571419 0.86 PTPN1 (0.53) PLGPTPN1PTPN22PRSS1PRSS2
SCHEMBL6571423 0.86 PTPN1 (0.53) PLGPTPN1PTPN22PRSS1PRSS2
SCHEMBL4315647 0.85 KLKB1 (0.56) PLGKLKB1PTPN1PTPN22FOLH1
SCHEMBL4315645 0.85 KLKB1 (0.56) PLGKLKB1PTPN1PTPN22FOLH1
SCHEMBL6571743 0.85 KLKB1 (0.56) PLGKLKB1PTPN1PTPN22FOLH1
SCHEMBL4650362 0.85 GRIA1 (0.55) L3MBTL1CTSSCTSKCTSLGRIA1
SCHEMBL6575436 0.84 PTPN1 (0.51) PLGKLKB1PTPN1PTPN22PRSS1
SCHEMBL4650952 0.83 MMP2 (0.57)

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
EP-1301474-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS Array Biopharma Inc. (US) 2003-04-16 EP claimed
US-20020040003-A1 Preparation of phosphatase inhibitors ARRAY BIOPHARMA INC. 2002-04-04 US claimed
WO-2002004412-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2002-01-17 WO 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 L3MBTL1 3722/4885PLG 3656/4885CTSS 2322/4885

“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.