SCHEMBL23317339

SCHEMBL23317339

CCCC(C(=O)Nc1c(C)cc(Cl)cc1C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PYGL P06737 4/20 0.39
CYP2C9 P11712 2/20 0.39
HSP90AA1 P07900 1/20 0.38
ATM Q13315 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DRD4 P21917 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL23317577 0.90 PYGL (0.47) PYGLCYP2C9MEN1RAB9AKMT2A
SCHEMBL23317225 0.90 HSP90AA1 (0.39) PYGLCYP2C9HSP90AA1ATMTAS1R3
SCHEMBL23317362 0.88 PYGL (0.39) PYGLCYP2C9HSP90AA1ATMTAS1R3
SCHEMBL23317699 0.87 ATM (0.47) CYP2C9HSP90AA1ATMMEN1KMT2A
SCHEMBL23317434 0.86 PYGL (0.39) PYGLCYP2C9TAS1R3TAS1R1MEN1
SCHEMBL23317432 0.85 PYGL (0.37) PYGLCYP2C9HSP90AA1ATMMEN1
SCHEMBL23317170 0.82 CA1 (0.38) PYGLCYP2C9TAS1R3TAS1R1TSHR
SCHEMBL23317659 0.81 CA1 (0.37) PYGLCYP2C9TAS1R3TAS1R1TSHR
SCHEMBL23317425 0.81 ATM (0.45) CYP2C9HSP90AA1ATMMEN1RAB9A
SCHEMBL23317546 0.80 NPSR1 (0.46) PYGLCYP2C9MEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-20210128589-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2021-05-06 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 (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-20210128589-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV5, TRPA1 PYGL 3480/4885CYP2C9 3142/4885HSP90AA1 3207/4885
US-11701370-B2 Phosphonium ion channel blockers and methods for use TRPV1, TRPV5, TRPA1 PYGL 3480/4885CYP2C9 3142/4885HSP90AA1 3207/4885

“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.