SCHEMBL3109158

SCHEMBL3109158

CC(C)NC(=O)CNC(=O)c1ccc(C2=NOC(c3cc(Br)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB11 A5LHX3 2/20 0.36
PSMA7 O14818 2/20 0.36
PSMB1 P20618 2/20 0.36
PSMA1 P25786 2/20 0.36
PSMA2 P25787 2/20 0.36
PSMA3 P25788 2/20 0.36
PSMA4 P25789 2/20 0.36
PSMB8 P28062 2/20 0.36
PSMB9 P28065 2/20 0.36
PSMA5 P28066 2/20 0.36
PSMB4 P28070 2/20 0.36
PSMB6 P28072 2/20 0.36
PSMB5 P28074 2/20 0.36
PSMB10 P40306 2/20 0.36
PSMB3 P49720 2/20 0.36
PSMB2 P49721 2/20 0.36
PSMA6 P60900 2/20 0.36
PSMA8 Q8TAA3 2/20 0.36
PSMB7 Q99436 2/20 0.36
FAP Q12884 3/20 0.35

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
SCHEMBL3096698 0.95 FAP (0.38) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL3110169 0.92 FAP (0.33) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL3104661 0.91 FAP (0.35) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL3115082 0.91 TP53 (0.33) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL3097102 0.90 GPR139 (0.41) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL3641457 0.90 HTT (0.35) FAPDRD3
SCHEMBL3105459 0.89 CCR1 (0.31) TACR1
SCHEMBL3113510 0.88 CA1 (0.30)
SCHEMBL3104839 0.87 GPR139 (0.38) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL3105544 0.87 FAP (0.35) PSMB11PSMA7PSMB1PSMA1PSMA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3222618-A1 NAPTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. du Pont de Nemours and Company (US) 2017-09-27 EP claimed
US-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents E.I. DU PONT DE NEMOURS AND COMPANY 2014-04-24 US claimed
US-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents DU PONT (US) 2013-08-22 US claimed
US-20100254959-A1 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-07 US claimed
EP-3222618-B1 NAPTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS DU PONT (US) 2020-09-09 EP disclosed
EP-3222618-A1 NAPTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. du Pont de Nemours and Company (US) 2017-09-27 EP disclosed
US-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents E.I. DU PONT DE NEMOURS AND COMPANY 2014-04-24 US disclosed
US-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents DU PONT (US) 2013-08-22 US disclosed
US-8410153-B2 Naphthalene isoxazoline invertebrate pest control agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-04-02 US disclosed
US-20100254959-A1 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-07 US disclosed
EP-2158188-A2 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. Du Pont de Nemours and Company (US) 2010-03-03 EP disclosed
WO-2009002809-A2 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-31 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 (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-20100254959-A1 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS C1S, C1R, C9 PSMB11 616/4885PSMA7 1611/4885PSMB1 353/4885
US-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 PSMB11 616/4885PSMA7 1611/4885PSMB1 353/4885
US-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 PSMB11 616/4885PSMA7 1611/4885PSMB1 353/4885

“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.