SCHEMBL6771445

SCHEMBL6771445

Cc1cc(C)c(CC(=O)NC2(C#N)CCN(CCC(=O)O)CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
CTSL P07711 1/20 0.37
S1PR5 Q9H228 3/20 0.36
S1PR1 P21453 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ALOX15 P16050 1/20 0.34
POLB P06746 1/20 0.33
KCNA3 P22001 1/20 0.33

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
SCHEMBL6850654 0.86 MEN1 (0.39) TP53CTSLALDH1A1RAB9ASMN1; SMN2
SCHEMBL6771158 0.86 ALOX15 (0.40) TP53CTSLALDH1A1ALOX15RXFP1
SCHEMBL6771023 0.83 TP53 (0.43) TP53S1PR5S1PR1RAB9AHRH3
SCHEMBL6849046 0.82 CTSL (0.37) CTSLALDH1A1ALOX15RXFP1
SCHEMBL1956158 0.81 ALDH1A1 (0.35) CTSLALDH1A1RAB9APOLBRXFP1
SCHEMBL6762509 0.80 S1PR5 (0.44) S1PR5S1PR1ALDH1A1
SCHEMBL9044843 0.80 TP53 (0.40) TP53S1PR5S1PR1ALDH1A1RAB9A
SCHEMBL6771442 0.80 CTSL (0.39) CTSLALDH1A1RXFP1
SCHEMBL12691729 0.79 ALDH1A1 (0.38) CTSLALDH1A1RAB9APOLB
SCHEMBL247704 0.79 HDAC3 (0.34) CTSLALDH1A1RXFP1

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 TP53 3944/4885CTSL 3137/4885S1PR5 1382/4885

“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.