SCHEMBL6090159

SCHEMBL6090159

CCC(C(=O)O)C1c2ccc(C(F)(F)F)cc2C(=O)N1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.38
ANXA2 P07355 2/20 0.38
S100A10 P60903 2/20 0.38
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PTGDR2 Q9Y5Y4 5/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 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
SCHEMBL6092633 0.90 DNMT1 (0.39) CACNA1BANXA2S100A10AKR1C3AKR1C2
SCHEMBL6092194 0.84 KDM4E (0.37) CACNA1BKDM4EPOLBALOX15
SCHEMBL6092919 0.83 MDM2 (0.39) CACNA1BTP53KDM4EPOLBALOX15
SCHEMBL6092501 0.83 KDM4E (0.36) CACNA1BKDM4EPOLBALOX15
SCHEMBL6090274 0.81 KDM4E (0.35) KDM4EPOLBALOX15PPARGPPARA
SCHEMBL6094362 0.80 FFAR1 (0.44)
SCHEMBL4478418 0.79 KDM4E (0.42) CACNA1BANXA2S100A10TP53MAPT
SCHEMBL4474552 0.79 CTDSP1 (0.41) CACNA1BANXA2S100A10TP53MAPT
SCHEMBL6094330 0.78 FFAR1 (0.40) AKR1C3AKR1C2KDM4EPOLBALOX15
SCHEMBL6092904 0.77 FFAR1 (0.36) CACNA1BKDM4EPOLBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148880-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 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 (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-20060148880-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 CACNA1B 1457/4885ANXA2 3036/4885S100A10 3305/4885

“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.