SCHEMBL8267129

SCHEMBL8267129

OB(O)CCCCn1cnc2ccc(F)c(F)c21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 12/20 0.51
TRPV1 Q8NER1 1/20 0.39
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
CSNK2A1 P68400 2/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A3 Q8NEV1 1/20 0.30

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
SCHEMBL308444 0.79 PRPS1 (0.51) PRPS1TRPV1LMNADPP4DPP8
SCHEMBL8266476 0.78 PRPS1 (0.51) PRPS1LMNAALOX15TSHRSMN1; SMN2
SCHEMBL13668128 0.77 PRPS1 (0.50) PRPS1LMNAALOX15TSHRSMN1; SMN2
SCHEMBL8268099 0.76 FGFR1 (0.43) PRPS1LMNAALOX15TSHRSMN1; SMN2
SCHEMBL13668144 0.74 PRPS1 (0.49) PRPS1LMNAALOX15TSHRSMN1; SMN2
SCHEMBL13668151 0.74 PRPS1 (0.50) PRPS1LMNAALOX15TSHRSMN1; SMN2
SCHEMBL13668145 0.73 PRPS1 (0.48) PRPS1LMNAALOX15TSHRSMN1; SMN2
SCHEMBL13668153 0.71 PRPS1 (0.50) PRPS1LMNAALOX15TSHRSMN1; SMN2
SCHEMBL13668150 0.71 PRPS1 (0.37) PRPS1LMNADPP4DPP8
SCHEMBL307885 0.71 TRPV1 (0.53) PRPS1TRPV1LMNASMN1; SMN2CSNK2A1

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-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 US disclosed
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 US disclosed
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US disclosed
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US disclosed
WO-2006050053-A2 COMPOUNDS AND METHODS OF USE THEREOF NUADA, LLC (US) 2006-05-11 WO 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-20090005344-A1 Compounds and Methods of Use Thereof TNF, IL1B, TNFRSF1A PRPS1 1826/4885TRPV1 2558/4885LMNA 1421/4885
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF TNF, NFKBIA, IL6 PRPS1 2641/4885TRPV1 2472/4885LMNA 1527/4885

“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.