SCHEMBL4100274

SCHEMBL4100274

O=C(O)c1cc(NCCc2cc(F)ccc2C(F)(F)F)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.52
STING1 Q86WV6 1/20 0.52
ALDH1A1 P00352 3/20 0.47
NOX4 Q9NPH5 2/20 0.47
MAPT P10636 2/20 0.47
RGS12 O14924 1/20 0.47
EGFR P00533 1/20 0.47
LCK P06239 1/20 0.47
CAMKK2 Q96RR4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4C Q9H3R0 5/20 0.43
SYK P43405 2/20 0.42
TMPRSS4 Q9NRS4 2/20 0.41
P2RX1 P51575 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
DHFR P00374 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL29391362 0.91 PPARA (0.52) PPARASTING1ALDH1A1NOX4MAPT
SCHEMBL608267 0.91 PPARA (0.52) PPARASTING1ALDH1A1NOX4MAPT
SCHEMBL4093950 0.85 NOX4 (0.59) PPARASTING1ALDH1A1NOX4MAPT
SCHEMBL4101857 0.82 NOX4 (0.52) PPARASTING1ALDH1A1NOX4MAPT
SCHEMBL30473064 0.82 NOX4 (0.52) PPARASTING1ALDH1A1NOX4MAPT
SCHEMBL4097800 0.81 PPARA (0.52) PPARASTING1ALDH1A1NOX4MAPT
SCHEMBL610770 0.79 NOX4 (0.47) PPARASTING1ALDH1A1NOX4MAPT
SCHEMBL29388037 0.79 NOX4 (0.47) PPARASTING1ALDH1A1NOX4MAPT
SCHEMBL4095655 0.79 PPARA (0.52) PPARASTING1ALDH1A1NOX4MAPT
SCHEMBL27770274 0.78 EGFR (0.74) PPARASTING1ALDH1A1NOX4MAPT

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-20120301551-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2012-11-29 US disclosed
US-20090149542-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2009-06-11 US disclosed
US-20070298129-A1 Compounds and compositions for treating neuronal death or neurological dysfunction NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2007-12-27 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 (3 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-20090149542-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION BCL2, BAX, SMN1; SMN2 PPARA 1265/4885STING1 3945/4885ALDH1A1 1961/4885
US-20120301551-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION BCL2, BAX, SMN1; SMN2 PPARA 1265/4885STING1 3945/4885ALDH1A1 1961/4885
US-20070298129-A1 Compounds and compositions for treating neuronal death or neurological dysfunction BCL2, BAX, SMN1; SMN2 PPARA 1265/4885STING1 3945/4885ALDH1A1 1961/4885

“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.