SCHEMBL7202719

SCHEMBL7202719

BrCCCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.35
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
HSD11B1 P28845 6/20 0.32
ALDH1A1 P00352 3/20 0.31
PKM P14618 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 2/20 0.31
NLRP3 Q96P20 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL838908 0.85 SLC9A1 (0.36) DAGLALMNANPSR1AGTR1AGTR2
SCHEMBL8418644 0.85 DAGLA (0.35) DAGLALMNANPSR1AGTR1AGTR2
SCHEMBL3568399 0.84 SLC9A1 (0.35) DAGLALMNANPSR1AGTR1AGTR2
SCHEMBL8417361 0.84 DAGLA (0.34) DAGLALMNANPSR1AGTR1AGTR2
SCHEMBL3260686 0.81 CYP2A6 (0.34) LMNANPSR1AGTR1AGTR2HSD11B1
SCHEMBL22615880 0.81 HSD11B1 (0.36) DAGLALMNANPSR1AGTR1AGTR2
SCHEMBL14032263 0.81 AGTR1 (0.35) DAGLALMNANPSR1AGTR1AGTR2
SCHEMBL2970884 0.80 LMNA (0.36) DAGLALMNANPSR1ALDH1A1HTT
SCHEMBL1121488 0.78 LMNA (0.35) DAGLALMNANPSR1AGTR1AGTR2
SCHEMBL2359649 0.78 LMNA (0.35) LMNANPSR1AGTR1AGTR2HSD11B1

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 4 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

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 DAGLA 1758/4885LMNA 4857/4885NPSR1 2167/4885

“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.