SCHEMBL6027320

SCHEMBL6027320

O=C(CC/C(=N/O)OC(=O)c1ccc(C(=O)c2ccccc2)cc1)OC(=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.44
ALDH1A1 P00352 3/20 0.41
SRD5A2 P31213 1/20 0.41
PPARA Q07869 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
STS P08842 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 3/20 0.38
HPGD P15428 3/20 0.38
RAB9A P51151 2/20 0.38
F2 P00734 1/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL2356948 0.94 PRSS1 (0.42) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL9244293 0.86 AKR1C3 (0.44) ELANEALDH1A1CA1CA2CA9
SCHEMBL8581687 0.82 PTPN2 (0.36) CA1CA2
SCHEMBL16670075 0.82 RAB9A (0.40) CA1CA2LMNARAB9AATM
SCHEMBL9318015 0.80 LMNA (0.56) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL5986576 0.80 CES2 (0.44) ALDH1A1LMNAHPGDRAB9AMEN1
SCHEMBL3111477 0.79 CA1 (0.41) CA12CA1CA2CA9CA14
SCHEMBL16553458 0.79 ALDH1A1 (0.46) ALDH1A1RAB9AMAPTKMT2A
SCHEMBL15515208 0.79 ELANE (0.46) ELANEALDH1A1SRD5A2PPARAPRSS1
Water SCHEMBL21440321 0.79 LMNA (0.54) ALDH1A1PRSS1CTSGCTRB1CMA1

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
US-7141394-B2 More stable analog of isopropyl thiogalactoside for induction of protein expression IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-11-28 US disclosed
US-20040224390-A1 More stable analog of isopropylthiogalactoside for induction of protein expression IOWA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2004-11-11 US disclosed
WO-2004094445-A1 A MORE STABLE ANALOG OF ISO-PROPYLTHIOGALACTOSIDE FOR INDUCTION OF PROTEIN EXPRESSION IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC (US) 2004-11-04 WO disclosed
US-5587509-A Caged caboxyl compounds and use thereof CORNELL RESEARCH FOUNDATION, INC. (US) 1996-12-24 US disclosed
WO-1995015305-A1 CAGED CARVOXYL COMPOUNDS AND THEIR USE IN CHEMICAL KINETIC INVESTIGATION OF NEUROTRANSMITTER RECEPTORS CORNELL RESEARCH FOUNDATION, INC. (US) 1995-06-08 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-20040224390-A1 More stable analog of isopropylthiogalactoside for induction of protein expression PPIG, B3GAT3, PPIC ELANE 3391/4885ALDH1A1 3670/4885SRD5A2 4110/4885

“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.