SCHEMBL4650210

SCHEMBL4650210

O=C(NC(Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)NCCCCc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.52
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.48
CTSL P07711 4/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
CTSB P07858 2/20 0.47
CTSV O60911 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ALB P02768 1/20 0.46
IL2 P60568 1/20 0.46
FOLH1 Q04609 2/20 0.46
CHRNA1 P02708 2/20 0.44
CHRNG P07510 2/20 0.44
CHRNB1 P11230 2/20 0.44
CHRND Q07001 2/20 0.44

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 0.86 PTPN1 (0.53) GRIA1PKMKMT2ACTSLCTSS
SCHEMBL4650423 0.85 BCL2 (0.53) CTSLCTSSCTSKCTSB
SCHEMBL29357408 0.83 ALB (0.62) ALDH1A1ALBIL2
Hydrochloric Acid SCHEMBL4650896 0.82 HDAC8 (0.50) PKMALDH1A1
SCHEMBL4651209 0.82 PTPN1 (0.47) GRIA1PKMKMT2ACTSLCTSS
SCHEMBL4651392 0.82 GRIA1 (0.73) GRIA1KMT2ACTSLCTSSCTSK
SCHEMBL4363649 0.80 ALDH1A1 (0.53) CTSLCTSSCTSKALDH1A1ALB
SCHEMBL7052528 0.79 PKM (0.52) PKML3MBTL1ALDH1A1HPGD
SCHEMBL4651199 0.79 PTPN1 (0.57) GRIA1KMT2ACTSLCTSSCTSK
SCHEMBL4650362 0.75 GRIA1 (0.55) GRIA1KMT2ACTSLCTSSCTSK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1969030-A2 POLY (ARYLENE ETHER) COPOLYMER GENERAL ELECTRIC COMPANY (US) 2008-09-17 EP claimed
WO-2007067669-A2 POLY (ARYLENE ETHER) COPOLYMER GENERAL ELECTRIC COMPANY (US) 2007-06-14 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 2535/4885PKM 2224/4885KMT2A 3124/4885

“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.