SCHEMBL4650362

SCHEMBL4650362

O=C(NC(Cc1ccc(OC(C(=O)O)C(=O)O)cc1)C(=O)NCCCCc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.55
KMT2A Q03164 1/20 0.53
CTSL P07711 5/20 0.52
CTSS P25774 2/20 0.52
CTSK P43235 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SRC P12931 1/20 0.52
FOLH1 Q04609 4/20 0.50
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
PTPN1 P18031 2/20 0.48
PTPN22 Q9Y2R2 1/20 0.48

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
SCHEMBL4650398 0.85 L3MBTL1 (0.66) GRIA1CTSLCTSSCTSKL3MBTL1
SCHEMBL4651392 0.85 GRIA1 (0.73) GRIA1KMT2ACTSLCTSSCTSK
SCHEMBL7047060 0.83 CTSL (0.60) GRIA1KMT2ACTSLCTSSCTSK
SCHEMBL6572828 0.83 SRC (0.55) GRIA1SRCFOLH1ITGB3ITGA2B
SCHEMBL6572832 0.83 SRC (0.55) GRIA1SRCFOLH1ITGB3ITGA2B
SCHEMBL4650855 0.82 KMT2A (0.47) GRIA1KMT2ACTSLCTSSCTSK
SCHEMBL4650962 0.80 L3MBTL1 (0.58) GRIA1CTSLCTSSCTSKL3MBTL1
SCHEMBL4315647 0.80 KLKB1 (0.56) KMT2AFOLH1PTPN1PTPN22
SCHEMBL4315645 0.80 KLKB1 (0.56) KMT2AFOLH1PTPN1PTPN22
SCHEMBL6571743 0.80 KLKB1 (0.56) KMT2AFOLH1PTPN1PTPN22

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 8 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
EP-1301474-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS Array Biopharma Inc. (US) 2003-04-16 EP disclosed
US-20020040003-A1 Preparation of phosphatase inhibitors ARRAY BIOPHARMA INC. 2002-04-04 US disclosed
WO-2002004412-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2002-01-17 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 (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 GRIA1 2535/4885KMT2A 3124/4885CTSL 2443/4885

“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.