SCHEMBL2356948

SCHEMBL2356948

O=C(CC/C(=N/O)OC(=O)c1ccccc1)OC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.42
CTSG P08311 1/20 0.42
CTRB1 P17538 1/20 0.42
CMA1 P23946 1/20 0.42
LMNA P02545 3/20 0.42
F2 P00734 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 3/20 0.40
KMT2A Q03164 4/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.37
PLA2G7 Q13093 1/20 0.37
MAPT P10636 3/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6027320 0.94 ELANE (0.44) PRSS1CTSGCTRB1CMA1LMNA
SCHEMBL9318015 0.86 LMNA (0.56) PRSS1CTSGCTRB1CMA1LMNA
SCHEMBL9244293 0.85 AKR1C3 (0.44) PRSS1CTSGCTRB1CMA1LMNA
SCHEMBL8581687 0.84 PTPN2 (0.36)
SCHEMBL16670075 0.84 RAB9A (0.40) LMNAKMT2AMAPK1MAPTRAB9A
SCHEMBL15485653 0.84 LMNA (0.54) PRSS1CTSGCTRB1CMA1LMNA
Water SCHEMBL21440321 0.84 LMNA (0.54) PRSS1CTSGCTRB1CMA1LMNA
SCHEMBL27192192 0.84 LMNA (0.54) PRSS1CTSGCTRB1CMA1LMNA
SCHEMBL11207842 0.83 LMNA (0.50) LMNAF2TDP1TSHRKMT2A
SCHEMBL5986576 0.82 CES2 (0.44) LMNAKMT2AALDH1A1RAB9A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 US disclosed
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP disclosed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 WO disclosed
EP-0722458-B1 PERALKYLATED OLIGOPEPTIDE MIXTURES TORREY PINES INST (US) 2002-04-03 EP disclosed
US-6287787-B1 OLIGOPEPTIDE CHAINS OF A FIRST OLIGOPEPTIDE PORTION ARE BONDED BY A DISULFIDE BOND TO THE OLIGOPEPTIDE CHAINS OF A SECOND OLIGOPEPTIDE MIXTURE PORTION TORREY PINES INSTITUTE FOR MOLECULAR STUDIES 2001-09-11 US disclosed
EP-0710245-B1 LINEAR SUBSTITUTED OLIGOALKYLENEIMINE LIBRARIES TORREY PINES INST (US) 2001-03-14 EP disclosed
US-6197529-B1 MIXTURE OF EQUIMOLAR AMOUNTS OF CHAIN MEMBERS CONTAINING SAME NUMBER OF TWO TO TEN ALKYLENEIMINE REPEATING UNITS IN EACH, EACH UNIT HAS REDUCED AMINO ACID SIDE CHAIN BONDED TO THE CARBON ATOM ALPHA TO THE NITROGEN ATOM; DRUG SCREENING TORREY PINES INSTITUTE FOR MOLECULAR STUDIES 2001-03-06 US disclosed
EP-0722458-A4 PERALKYLATED OLIGOPEPTIDE MIXTURES TORREY PINES INST (US) 1999-05-19 EP disclosed
EP-0558671-B1 SYNTHESIS OF EQUIMOLAR MULTIPLE OLIGOMER MIXTURES, ESPECIALLY OF OLIGOPEPTIDE MIXTURES ITEREX PHARMA LP (US) 1999-01-27 EP disclosed
EP-0710245-A1 LINEAR SUBSTITUTED OLIGOALKYLENEIMINE LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1996-05-08 EP disclosed
US-5504190-A Equimolar multiple oligomer mixtures, especially oligopeptide mixtures TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1996-04-02 US disclosed
EP-0710245-A4 LINEAR SUBSTITUTED OLIGOALKYLENEIMINE LIBRARIES TORREY PINES INST (US) 1996-03-12 EP disclosed
US-5480971-A Peralkylated oligopeptide mixtures HOUGHTEN PHARMACEUTICALS, INC. (US) 1996-01-02 US disclosed
WO-1995014929-A1 DIMERIC OLIGOPEPTIDE MIXTURE SETS HOUGHTEN PHARMACEUTICALS, INC. (US) 1995-06-01 WO disclosed
WO-1995000539-A1 PERALKYLATED OLIGOPEPTIDE MIXTURES HOUGHTEN PHARMACEUTICALS, INC. (US) 1995-01-05 WO disclosed
WO-1994026775-A1 LINEAR SUBSTITUTED OLIGOALKYLENEIMINE LIBRARIES HOUGHTEN PHARMACEUTICALS, INC. (US) 1994-11-24 WO disclosed
EP-0558671-A4 SYNTHESIS OF EQUIMOLAR MULTIPLE OLIGOMER MIXTURES, ESPECIALLY OF OLIGOPEPTIDE MIXTURES ITEREX PHARMA LP (US) 1994-05-11 EP disclosed
EP-0558671-A1 SYNTHESIS OF EQUIMOLAR MULTIPLE OLIGOMER MIXTURES, ESPECIALLY OF OLIGOPEPTIDE MIXTURES ITEREX PHARMACEUTICALS LTD. PARTNERSHIP (US) 1993-09-08 EP disclosed
WO-1992009300-A1 SYNTHESIS OF EQUIMOLAR MULTIPLE OLIGOMER MIXTURES, ESPECIALLY OF OLIGOPEPTIDE MIXTURES ITEREX PHARMACEUTICALS LTD. PARTNERSHIP (US) 1992-06-11 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 PRSS1 2323/4885CTSG 1102/4885CTRB1 281/4885

“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.