SCHEMBL6765236

SCHEMBL6765236

O=C(O)CCN1CCC(NC(=O)Cc2c(Cl)cccc2Cl)(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 17/20 0.46
S1PR1 P21453 7/20 0.46
S1PR3 Q99500 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
AKR1B1 P15121 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6765931 0.92 ALDH1A1 (0.49) S1PR5S1PR1KMT2A
SCHEMBL6771260 0.89 S1PR5 (0.47) S1PR5S1PR1S1PR3SIGMAR1
SCHEMBL6762566 0.85 ALDH1A1 (0.49) SIGMAR1AKR1B1KMT2A
SCHEMBL6762509 0.83 S1PR5 (0.44) S1PR5S1PR1S1PR3SIGMAR1AKR1B1
SCHEMBL9044742 0.83 S1PR5 (0.46) S1PR5S1PR1S1PR3SIGMAR1
SCHEMBL6766824 0.82 ALDH1A1 (0.48) S1PR5S1PR1KMT2A
SCHEMBL6764643 0.81 ALDH1A1 (0.46) SIGMAR1AKR1B1KMT2A
SCHEMBL6764680 0.81 SHMT1 (0.47) S1PR5S1PR1S1PR3SIGMAR1KMT2A
SCHEMBL9044507 0.81 S1PR5 (0.46) S1PR5S1PR1S1PR3
SCHEMBL6771023 0.79 TP53 (0.43) S1PR5S1PR1KMT2A

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-6774133-B2 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2004-08-10 US disclosed
US-20040009999-A1 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides FISCHER REINER (DE) 2004-01-15 US disclosed
US-6555567-B1 2-oxo-3-aryl-4-hydroxy-1-aza-8-thiaspiro(4.5)decane derivatives of given formula; use as arthropodicide or nematicide BAYER AKTIENGESELLSCHAFT (DE) 2003-04-29 US disclosed
US-6479489-B1 AN ARTHROPODICIDAL OR NEMATICIDAL COMPOSITION BAYER AKTIENGESELLSCHAFT (DE) 2002-11-12 US disclosed
US-5981567-A ARTHROPODICIDAL OR NEMATICIDAL COMPOSITION BAYER AKTIENGESELLSCHAFT (DE) 1999-11-09 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-20040009999-A1 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides DDT, HPD, CAT S1PR5 1382/4885S1PR1 1608/4885S1PR3 1540/4885

“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.