SCHEMBL14227546

SCHEMBL14227546

BCc1ccc(C(=O)CBr)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.59
▸ PTPN1 P18031 6/20 0.59
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL205280 0.83 GSK3B (0.80) GSK3BPTPN1HDAC3HDAC4HDAC1
SCHEMBL9237039 0.82 GSK3B (0.64) GSK3BPTPN1CES2CES1THRA
SCHEMBL6816324 0.82 GSK3B (0.64) GSK3BPTPN1CES2CES1
SCHEMBL1365349 0.80 GSK3B (0.61) GSK3BPTPN1CES2CES1THRA
SCHEMBL2776629 0.78 GSK3B (0.63) GSK3BPTPN1THRATHRB
SCHEMBL6631999 0.78 GSK3B (0.59) GSK3BPTPN1CES2CES1
SCHEMBL16057598 0.78 PTPN1 (0.63) GSK3BPTPN1CES2CES1THRA
SCHEMBL14532029 0.77 GSK3B (0.64) GSK3BPTPN1HDAC3HDAC4HDAC1
SCHEMBL392969 0.77 GSK3B (0.59) GSK3BPTPN1
SCHEMBL13557299 0.77 GSK3B (0.68) GSK3BPTPN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368883-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2016-12-22 — — US disclosed
US-9456605-B2 Isoxazoline derivatives as insecticides SYNGENTA CROP PROTECTION, LLC (US) 2016-10-04 — — US disclosed
US-20140249316-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2014-09-04 — — US disclosed
US-8754053-B2 Isoxazoline derivatives as insecticides SYNGENTA CROP PROTECTION LLC (US) 2014-06-17 — — US disclosed
US-20120316124-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-12-13 — — US 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 (3 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-20140249316-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES ACHE, CHRM1, ITPR3 GSK3B 2612/4885PTPN1 2475/4885CES2 1982/4885
US-20120316124-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES CHRM1, ACHE, P2RX7 GSK3B 2623/4885PTPN1 2377/4885CES2 1869/4885
US-20160368883-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES ACHE, CHRM1, ITPR3 GSK3B 2612/4885PTPN1 2475/4885CES2 1982/4885

“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.

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