SCHEMBL6764680

SCHEMBL6764680

O=C(O)CCN1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 2/20 0.47
SHMT2 P34897 2/20 0.47
SIGMAR1 Q99720 1/20 0.46
KMT2A Q03164 1/20 0.42
S1PR5 Q9H228 4/20 0.42
S1PR3 Q99500 3/20 0.42
S1PR1 P21453 2/20 0.42
EPHX2 P34913 3/20 0.41
ALDH1A1 P00352 1/20 0.40
P2RX7 Q99572 2/20 0.39
ERCC1 P07992 2/20 0.39
ERCC4 Q92889 2/20 0.39
CCR5 P51681 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL6762268 0.90 SIGMAR1 (0.43) SIGMAR1KMT2AS1PR5S1PR3S1PR1
SCHEMBL6771370 0.86 SHMT1 (0.50) SHMT1SHMT2SIGMAR1KMT2AEPHX2
SCHEMBL6766386 0.84 SIGMAR1 (0.44) SIGMAR1KMT2AS1PR5S1PR3S1PR1
SCHEMBL6766304 0.82 SHMT1 (0.48) SHMT1SHMT2SIGMAR1KMT2AEPHX2
SCHEMBL9046646 0.82 SIGMAR1 (0.42) SIGMAR1KMT2AS1PR5S1PR3S1PR1
SCHEMBL6765236 0.81 S1PR5 (0.46) SIGMAR1KMT2AS1PR5S1PR3S1PR1
SCHEMBL6764659 0.80 POLB (0.40) KMT2AALDH1A1
SCHEMBL6764676 0.80 SHMT1 (0.46) SHMT1SHMT2SIGMAR1KMT2AEPHX2
SCHEMBL8905439 0.77 SHMT1 (0.50) SHMT1SHMT2SIGMAR1KMT2AEPHX2
SCHEMBL6765931 0.77 ALDH1A1 (0.49) KMT2AS1PR5S1PR1ALDH1A1

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 SHMT1 4483/4885SHMT2 4263/4885SIGMAR1 2066/4885

“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.