SCHEMBL2296718

SCHEMBL2296718

O=S(=O)(Nc1cccc(C(F)(F)F)c1)N1CCC2(CC1)OCCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
LMNA P02545 4/20 0.53
POLB P06746 3/20 0.47
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CDK1 P06493 2/20 0.44
CCNB1 P14635 2/20 0.44
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CDK7 P50613 2/20 0.44
CCNH P51946 2/20 0.44
CCNA1 P78396 2/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2291356 0.80 CDK1 (0.48) MAPTLMNAPOLBGAACDK1
SCHEMBL14433880 0.77 ALDH1A1 (0.67) MAPTLMNAGAATP53TDP1
SCHEMBL1575362 0.71 GRIN2B (0.53) MAPTLMNAGAASMN1; SMN2HTT
SCHEMBL12416812 0.71 CDK1 (0.59) MAPTGAATP53TDP1CDK1
SCHEMBL24732427 0.70 CDK1 (0.62) MAPTGAATP53TDP1CDK1
SCHEMBL423832 0.70 LMNA (0.39) MAPTLMNAPOLBGAATP53
SCHEMBL23848604 0.69 TACR1 (0.43) MAPTLMNAPOLBGAATP53
SCHEMBL15238534 0.69 RAF1 (0.54) MAPTLMNAHTTALDH1A1
SCHEMBL2299374 0.69 KDR (0.57) MAPTLMNATP53
SCHEMBL1498405 0.68 MMP2 (0.43) MAPTLMNAPOLBGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 US disclosed
EP-2164326-A1 AMIDE COMPOUNDS AND THE USE THEREOF Euro-Celtique, S.A. (LU) 2010-03-24 EP disclosed
WO-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 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 (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-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF CACNA1E, CACNA1B, CACNA1S MAPT 2931/4885LMNA 2476/4885POLB 4624/4885

“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.