SCHEMBL4650855

SCHEMBL4650855

O=C(N[C@@H](Cc1ccc(OC(C(=O)O)c2nn[nH]n2)cc1)C(=O)NCCCCc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
GRIA1 P42261 1/20 0.46
SRC P12931 1/20 0.46
PIN1 Q13526 3/20 0.45
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
CTSL P07711 3/20 0.43
FOLH1 Q04609 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
F11 P03951 1/20 0.42
PTPN1 P18031 1/20 0.42
PLG P00747 1/20 0.42

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
SCHEMBL14066218 0.97 SRC (0.48) KMT2AGRIA1SRCPIN1FAAH
SCHEMBL4650362 0.82 GRIA1 (0.55) KMT2AGRIA1SRCCTSLFOLH1
SCHEMBL7049668 0.82 SRC (0.45) KMT2AGRIA1SRCCTSLFOLH1
SCHEMBL4650324 0.80 KMT2A (0.44) KMT2AGRIA1SRCCTSLFOLH1
SCHEMBL7049670 0.80 SRC (0.42) KMT2AGRIA1SRCCTSLL3MBTL1
SCHEMBL7049667 0.79 SRC (0.42) KMT2AGRIA1SRCCTSLFOLH1
SCHEMBL4651392 0.76 GRIA1 (0.73) KMT2AGRIA1CTSLL3MBTL1CTSS
SCHEMBL7673240 0.76 PTPN1 (0.68) KMT2AGRIA1FAAHMGLLCTSL
SCHEMBL7052132 0.75 L3MBTL1 (0.42) KMT2AGRIA1SRCCTSLL3MBTL1
SCHEMBL7047060 0.75 CTSL (0.60) KMT2AGRIA1SRCCTSLL3MBTL1

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 KMT2A 3124/4885GRIA1 2535/4885SRC 176/4885

“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.