Ap18 5

Ap18 5

SCHEMBL1962033

CC(=Cc1ccc(Cl)cc1)C(C)=NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 10/20 1.00
▸ CYP2C9 P11712 1/20 0.43
▸ SIGMAR1 Q99720 2/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ FBP1 P09467 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ GABRA1 P14867 1/20 0.37

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
Ap18 5 SCHEMBL29357634 1.00 TRPA1 (1.00) TRPA1CYP2C9SIGMAR1ABCB11HDAC3
Ap18 5 SCHEMBL1499479 1.00 TRPA1 (1.00) TRPA1CYP2C9SIGMAR1ABCB11HDAC3
Ap18 5 SCHEMBL12552586 1.00 TRPA1 (1.00) TRPA1CYP2C9SIGMAR1ABCB11HDAC3
Ap18 5 SCHEMBL1499542 1.00 TRPA1 (1.00) TRPA1CYP2C9SIGMAR1ABCB11HDAC3
SCHEMBL11767293 0.81 TRPA1 (0.68) TRPA1CYP2C9SIGMAR1ABCB11HDAC3
SCHEMBL28252409 0.79 TRPA1 (0.66) TRPA1CYP2C9SIGMAR1ABCB11FBP1
SCHEMBL3668616 0.76 TRPA1 (0.61) TRPA1SIGMAR1ABCB11
SCHEMBL3668618 0.76 TRPA1 (0.61) TRPA1SIGMAR1ABCB11
SCHEMBL22995639 0.75 TRPA1 (0.60) TRPA1CYP2C9HDAC3HDAC4HDAC1
SCHEMBL22995643 0.75 TRPA1 (0.60) TRPA1CYP2C9HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144137-A1 METHOD FOR PREVENTING OR ALLEVIATING THE NOXIOUS EFFECTS RESULTING FROM TOXICANT EXPOSURE YALE UNIVERSITY (US) 2011-06-16 — — US claimed
WO-2009137087-A2 A METHOD FOR PREVENTING OR ALLEVIATING THE NOXIOUS EFFECTS RESULTING FROM TOXICANT EXPOSURE YALE UNIVERSITY (US) 2009-11-12 — — WO claimed
US-10662229-B2 Spider venom peptides and methods of use for modulating sodium channels THE UNIVERSITY OF QUEENSLAND (AU) 2020-05-26 — — US disclosed
EP-3472192-A1 SPIDER VENOM PEPTIDES AND METHODS OF USE FOR MODULATING SODIUM CHANNELS. The University of Queensland (AU) 2019-04-24 — — EP disclosed
US-20180280562-A1 Fibrous Structures Comprising Sensates THE PROCTER & GAMBLE COMPANY 2018-10-04 — — US disclosed
WO-2017219081-A1 SPIDER VENOM PEPTIDES AND METHODS OF USE FOR MODULATING SODIUM CHANNELS. THE UNIVERSITY OF QUEENSLAND (AU) 2017-12-28 — — WO disclosed
US-20110144137-A1 METHOD FOR PREVENTING OR ALLEVIATING THE NOXIOUS EFFECTS RESULTING FROM TOXICANT EXPOSURE YALE UNIVERSITY (US) 2011-06-16 — — US disclosed
WO-2009137087-A2 A METHOD FOR PREVENTING OR ALLEVIATING THE NOXIOUS EFFECTS RESULTING FROM TOXICANT EXPOSURE YALE UNIVERSITY (US) 2009-11-12 — — 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-20110144137-A1 METHOD FOR PREVENTING OR ALLEVIATING THE NOXIOUS EFFECTS RESULTING FROM TOXICANT EXPOSURE TRPA1, HRH2, HRH4 TRPA1 1/4885CYP2C9 1930/4885SIGMAR1 1325/4885

“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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