SCHEMBL3663320

SCHEMBL3663320

O=C(O)c1ccc(CO)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
ACMSD Q8TDX5 1/20 0.44
KLKB1 P03952 1/20 0.41
CTSB P07858 1/20 0.41
MMP9 P14780 1/20 0.41
DNMT1 P26358 1/20 0.41
DNMT3B Q9UBC3 1/20 0.41
DNMT3L Q9UJW3 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL27741358 0.85 ACMSD (0.46) PTPN1CA12CA1CA2CA4
SCHEMBL12108873 0.84 PTPN1 (0.47) PTPN1CA12CA1CA2CA3
SCHEMBL1018494 0.84 PTPN1 (0.47) PTPN1CA12CA1CA2CA3
SCHEMBL7532562 0.82 ALDH1A1 (0.48) PTPN1TSHRHSD17B10AGTR1AGTR2
SCHEMBL20857707 0.82 MAOB (0.43) TSHRHSD17B10HPGDKMT2A
SCHEMBL22231145 0.82 PTPN1 (0.46) PTPN1CA12CA1CA2CA3
SCHEMBL16411990 0.82 PTPN1 (0.46) PTPN1CA12CA1CA2CA3
SCHEMBL28784114 0.82 PTPN1 (0.46) PTPN1CA12CA1CA2CA3
SCHEMBL2855089 0.81 CA12 (0.50) CA12CA1CA2CA3CA4
SCHEMBL27707315 0.81 PTPN1 (0.44) PTPN1CA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104177349-A INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC 2014-12-03 CN disclosed
US-20140080877-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, LLC (US) 2014-03-20 US disclosed
US-8623896-B2 Insecticidal compounds SYNGENTA CROP PROTECTION, LLC (US) 2014-01-07 US disclosed
EP-2592079-A2 Insecticidal compounds Syngenta Participations AG. (CH) 2013-05-15 EP disclosed
EP-2518068-A2 Insecticidal compounds Syngenta Participations AG. (CH) 2012-10-31 EP disclosed
EP-2238132-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2012-08-01 EP disclosed
CN-101910161-A Insecticidal compounds SYNGENTA PARTICIPATIONS AG 2010-12-08 CN disclosed
US-20100279999-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
EP-2238132-A2 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2010-10-13 EP disclosed
WO-2009080250-A2 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-02 WO disclosed
WO-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 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 (2 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-20100279999-A1 INSECTICIDAL COMPOUNDS CHRM1, ACHE, CHRM2 PTPN1 2022/4885CA12 2615/4885CA1 614/4885
US-20140080877-A1 INSECTICIDAL COMPOUNDS CHRM1, ACHE, CHRM2 PTPN1 1982/4885CA12 2667/4885CA1 630/4885

“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.