SCHEMBL4651209

SCHEMBL4651209

CCOC(=O)COc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCCCCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.47
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
CTSB P07858 2/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GRIA1 P42261 1/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL4650238 0.90 PTPN1 (0.53) PTPN1ALDH1A1MAPTCTSBKMT2A
SCHEMBL4650210 0.82 GRIA1 (0.52) ALDH1A1L3MBTL1CTSBKMT2AGRIA1
SCHEMBL4651199 0.78 PTPN1 (0.57) PTPN1L3MBTL1CTSBKMT2AGRIA1
SCHEMBL4651225 0.77 PTPN1 (0.69) PTPN1CTSBKMT2AGRIA1CTSV
SCHEMBL4650909 0.77 PTPN1 (0.55) PTPN1L3MBTL1CTSBKMT2AGRIA1
SCHEMBL7675512 0.73 PTPN1 (0.63) PTPN1ALDH1A1L3MBTL1MAPTLMNA
SCHEMBL7679773 0.72 PTPN1 (0.64) PTPN1ALDH1A1L3MBTL1MAPTLMNA
SCHEMBL7673240 0.72 PTPN1 (0.68) PTPN1CTSBKMT2AGRIA1CTSV
SCHEMBL4651392 0.72 GRIA1 (0.73) L3MBTL1KMT2AGRIA1CTSLCTSS
SCHEMBL4650423 0.72 BCL2 (0.53) PTPN1CTSBCTSLCTSSCTSK

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
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 PTPN1 5/4885ALDH1A1 446/4885L3MBTL1 3722/4885

“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.