SCHEMBL5049590

SCHEMBL5049590

OB(O)c1cccc(N=C=S)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.48
▸ ENPP2 Q13822 6/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MGLL Q99685 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ P2RY6 Q15077 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
SCHEMBL3913281 0.81 ENPP2 (0.45) ENPP2ALDH1A1KDM4EMGLL
SCHEMBL483888 0.79 MIF (0.67) MIFALDH1A1KDM4EMEN1CYP3A4
SCHEMBL8764209 0.75 P2RY6 (0.50) MIFENPP2KDM4EMGLLP2RY6
Bitoscanate SCHEMBL11598436 0.74 MIF (0.68) MIFALDH1A1KDM4EMEN1CYP3A4
SCHEMBL8069515 0.74 ENPP2 (0.50) ENPP2ALDH1A1KDM4EMGLL
SCHEMBL9701237 0.74 MIF (0.54) MIFALDH1A1MEN1CYP3A4MAPT
SCHEMBL723373 0.74 MIF (0.54) MIFALDH1A1MEN1CYP3A4MAPT
SCHEMBL8764056 0.73 MIF (0.44) MIFALDH1A1KDM4EMEN1CYP3A4
SCHEMBL7641390 0.72 MEN1 (0.55) ENPP2MEN1KMT2A
SCHEMBL7641392 0.72 MEN1 (0.55) ENPP2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452858-B1 Metal complexes of acid adducts to dioxime ligands useful in labelling proteins and other amine-containing compounds BRACCO INT BV (NL) 1997-07-16 — — EP claimed
EP-0452858-A2 Metal complexes of acid adducts to dioxime ligands useful in labelling proteins and other amine-containing compounds BRACCO INTERNATIONAL B.V. (NL) 1991-10-23 — — EP claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
EP-1392504-A4 SENSOR SURFACES FOR DETECTING ANALYTES AGILENT TECHNOLOGIES INC (US) 2008-03-05 — — EP disclosed
US-7208322-B2 Sensor surfaces for detecting analytes AGILENT TECHNOLOGIES, INC. (US) 2007-04-24 — — US disclosed
US-7179659-B2 Detection of preferential particles in sample; obtain sample, incubate with sensor and substrate, monitor and measure response, evaluate for presence of particle AGILENT TECHNOLOGIES, INC. (US) 2007-02-20 — — US disclosed
EP-1165569-B1 BORONIC ACID CONTAINING REAGENTS AND OLIGONUCLEOTIDES AGILENT TECHNOLOGIES INC (US) 2005-08-10 — — EP disclosed
US-6870065-B2 Bifunctional boronic compound complexing reagents and complexes CAMBREX BIO SCIENCE ROCKLAND, INC. (US) 2005-03-22 — — US disclosed
EP-1392504-A1 SENSOR SURFACES FOR DETECTING ANALYTES Prolinx Incorporated (US) 2004-03-03 — — EP disclosed
US-6630577-B2 Useful for producing bioconjugates PROLINX, INC. 2003-10-07 — — US disclosed
US-20030105280-A1 Bifunctional boronic compound complexing reagents and complexes AHLEM CLARENCE N (US) 2003-06-05 — — US disclosed
WO-1998005627-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1998-02-12 — — WO disclosed
US-5677431-A Phenylboronic acid complexes for bioconjugate preparation PROLINX, INC. (US) 1997-10-14 — — US disclosed
EP-0452858-B1 Metal complexes of acid adducts to dioxime ligands useful in labelling proteins and other amine-containing compounds BRACCO INT BV (NL) 1997-07-16 — — EP disclosed
US-5623055-A Phenylboronic acid complexes derived from aminosalicylic acid for bioconjugate preparation PROLINX, INC. (US) 1997-04-22 — — US disclosed
US-5594111-A Phenylboronic acid complexes for bioconjugate preparation PROLINX, INC. (US) 1997-01-14 — — US disclosed
EP-0741734-A1 PHENYLBORONIC ACID COMPLEXES PROLINX, INC. (US) 1996-11-13 — — EP disclosed
WO-1995020591-A1 PHENYLBORONIC ACID COMPLEXES PROLINX, INC. (US) 1995-08-03 — — WO disclosed
US-5183653-A BORONIC ACID ADDUCTS OF METAL DIOXIME COMPLEXES USEFUL IN LABELLING PROTEINS AND OTHER AMINE-CONTAINING COMPOUNDS E. R. SQUIBB & SONS, INC. (US) 1993-02-02 — — US disclosed
EP-0452858-A2 Metal complexes of acid adducts to dioxime ligands useful in labelling proteins and other amine-containing compounds BRACCO INTERNATIONAL B.V. (NL) 1991-10-23 — — EP 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-20030105280-A1 Bifunctional boronic compound complexing reagents and complexes CHN2, CFH, COG2 MIF 2130/4885ENPP2 3274/4885ALDH1A1 3191/4885

“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.

Send feedback