SCHEMBL7526320

SCHEMBL7526320

CCOP(=O)(OCC)c1cccc(-c2ccc(CCl)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
ACHE P22303 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
SLC13A5 Q86YT5 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL7528673 0.86 MEN1 (0.43) NPSR1MEN1KMT2APOLBRXRA
SCHEMBL7195090 0.86 NPSR1 (0.41) NPSR1MEN1KMT2APOLBTAAR1
SCHEMBL12229703 0.85 MEN1 (0.53) NPSR1MEN1KMT2APOLBCCNT1
SCHEMBL7741344 0.80 POLB (0.44) NPSR1MEN1KMT2APOLBCCNT1
SCHEMBL7525626 0.79 CYP4F2 (0.44) NPSR1MEN1KMT2APOLBCCNT1
SCHEMBL7532193 0.79 NPSR1 (0.44) NPSR1MEN1KMT2APOLBCCNT1
SCHEMBL7526327 0.74 PTPN5 (0.36) TAAR1SLC13A5
SCHEMBL916035 0.73 NPSR1 (0.47) NPSR1MEN1KMT2APOLBCCNT1
SCHEMBL4411677 0.73 NPSR1 (0.47) NPSR1MEN1KMT2APOLBCCNT1
SCHEMBL13636979 0.73 NPSR1 (0.47) NPSR1MEN1KMT2APOLBCCNT1

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
US-6486141-B2 TREATING OR PREVENTING PTP-1B MEDIATED DISEASES, INCLUDING DIABETES, OBESITY, AND DIABETES-RELATED CONDITIONS. MERCK FROSST CANADA & CO. (CA) 2002-11-26 US disclosed
EP-1244677-A1 PHOSPHONIC ACID BIARYL DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA INC. (CA) 2002-10-02 EP disclosed
US-20020052346-A1 Phosphonic acid biaryl derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) MERCK FROSST CANADA LTD. (CA) 2002-05-02 US disclosed
WO-2001046203-A1 PHOSPHONIC ACID BIARYL DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA & CO. (CA) 2001-06-28 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-20020052346-A1 Phosphonic acid biaryl derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) PTPRO, PPM1B, PTPA NPSR1 2978/4885MEN1 4625/4885KMT2A 3404/4885

“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.