SCHEMBL16280595

SCHEMBL16280595

Cn1c(-c2ccccc2[S+]([O-])C(=O)[C@@H](N)C(O)Cl)nc2cc(C(F)(F)F)cnc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ CYP2C9 P11712 1/20 0.31
▸ GPBAR1 Q8TDU6 3/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ RORC P51449 1/20 0.30
▸ AGPAT2 O15120 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ MET P08581 1/20 0.30
▸ PADI4 Q9UM07 1/20 0.30

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
SCHEMBL15412490 0.79 POLB (0.41) POLBKDM4EALDH1A1PTGS1PTGS2
SCHEMBL15412563 0.79 POLB (0.39) POLBKDM4EALDH1A1MET
SCHEMBL15412815 0.78 POLB (0.40) POLBKDM4EALDH1A1PTGS1PTGS2
SCHEMBL15412578 0.77 POLB (0.39) POLBKDM4EALDH1A1PTGS2MET
SCHEMBL15412786 0.77 POLB (0.43) POLBKDM4EALDH1A1MET
SCHEMBL10281053 0.76 POLB (0.40) POLBKDM4EALDH1A1MET
SCHEMBL16280596 0.76 POLB (0.39) POLBKDM4EALDH1A1RORCAGPAT2
SCHEMBL16280594 0.76 POLB (0.39) POLBKDM4EALDH1A1RORCAGPAT2
SCHEMBL15412326 0.75 POLB (0.42) POLBKDM4EALDH1A1MET
SCHEMBL20708497 0.72 POLB (0.45) POLBGPBAR1KDM4EALDH1A1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-11 — — 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 (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-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 POLB 4737/4885CYP2C9 661/4885GPBAR1 2547/4885

“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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