SCHEMBL7188600

SCHEMBL7188600

CCOC(=O)CCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
MAPK1 P28482 3/20 0.54
KMT2A Q03164 2/20 0.54
CYP4Z1 Q86W10 2/20 0.53
CYP4F11 Q9HBI6 1/20 0.53
CYP4F12 Q9HCS2 1/20 0.53
LMNA P02545 2/20 0.53
KCNJ1 P48048 1/20 0.53
KCNH2 Q12809 1/20 0.53
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
ALOX5 P09917 1/20 0.51
TSHR P16473 1/20 0.50
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
Hydrochloric Acid SCHEMBL6988461 0.99 MAPT (0.54) MAPTKDM4EALDH1A1TDP1MAPK1
SCHEMBL27869674 0.96 ALDH1A1 (0.56) MAPTKDM4EALDH1A1TDP1MAPK1
SCHEMBL13991528 0.91 CYP4F2 (0.64) MAPTKDM4EALDH1A1TDP1MAPK1
SCHEMBL14724028 0.87 MAPT (0.53) MAPTALDH1A1TDP1MAPK1KMT2A
SCHEMBL5024676 0.85 MAPT (0.52) MAPTALDH1A1TDP1MAPK1KMT2A
SCHEMBL1350599 0.85 MAPT (0.55) MAPTALDH1A1TDP1KMT2AKCNH2
SCHEMBL3134589 0.85 CYP4F2 (0.56) MAPTALDH1A1TDP1MAPK1KMT2A
SCHEMBL9503602 0.84 MAPT (0.56) MAPTALDH1A1TDP1KMT2AKCNJ1
SCHEMBL9503608 0.84 BCL9 (0.58) MAPTALDH1A1TDP1KMT2AKCNJ1
SCHEMBL6989418 0.83 MAPT (0.54) MAPTKDM4EALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268494-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS Merck Frosst Canada & Co. (CA) 2003-01-02 EP disclosed
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US disclosed
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-07-11 US disclosed
WO-2001070753-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 WO disclosed
US-5964919-A STABILIZING THE ACTIVE ZINC BY SUSPENDING IN A CONTAINER WITH AN SOLVENT SELECT FROM ETHER, HYDROCARBON, AROMATIC HYDROCARABON OR APROTIC SOLVENT UNDER INERT GAS, SEALING THE CONTAINER BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1999-10-12 US disclosed
US-5756653-A REACTING A REDUCING AGENT ON A ZINC SALT BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1998-05-26 US disclosed
US-5358546-A Reacting a zinc compound with a reducting agent BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1994-10-25 US disclosed
WO-1993015086-A1 HIGHLY REACTIVE FORMS OF ZINC AND REAGENTS THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-08-05 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-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO MAPT 4057/4885KDM4E 2275/4885ALDH1A1 312/4885

“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.