SCHEMBL17899463

SCHEMBL17899463

CCC(OC)n1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 6/20 0.43
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
GRIK5 Q16478 1/20 0.41
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK3 P27361 1/20 0.37
ASAH1 Q13510 1/20 0.37
SQOR Q9Y6N5 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.34
PMP22 Q01453 1/20 0.34
HBB P68871 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
SCHEMBL11098619 0.84 SMN1; SMN2 (0.55) SMN1; SMN2LMNAKDM4ECYP1A2GRIA1
SCHEMBL11113253 0.84 SMN1; SMN2 (0.48) SMN1; SMN2LMNAKDM4ECYP1A2GRIA1
SCHEMBL17897666 0.84 SMN1; SMN2 (0.51) SMN1; SMN2LMNAKDM4ECYP1A2GRIA1
SCHEMBL6998418 0.83 MAPK1 (0.43) SMN1; SMN2LMNAPOLBHPGDALDH1A1
SCHEMBL11026044 0.81 SMN1; SMN2 (0.49) SMN1; SMN2LMNAKDM4ECYP1A2GRIA1
SCHEMBL22047282 0.81 CYP1A2 (0.41) SMN1; SMN2CYP1A2GRIA1GRIA2GRIA4
SCHEMBL22144418 0.80 SMN1; SMN2 (0.56) SMN1; SMN2LMNAKDM4ECYP1A2GRIA1
SCHEMBL24235951 0.79 SMN1; SMN2 (0.58) SMN1; SMN2LMNAKDM4ECYP1A2GRIA1
SCHEMBL17899459 0.79 SMN1; SMN2 (0.62) SMN1; SMN2LMNAKDM4ECYP1A2GRIA1
SCHEMBL11114119 0.78 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKDM4ECYP1A2GRIA1

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-20160193347-A1 MULTI-TARGETED UBENIMEX PRODRUG DERIVATIVE AND PREPARATION METHOD AND USE THEREOF WEIFANG BOCHUANG INTERNATIONAL ACADEMY OF BIOTECHNOLOGY AND MEDICINE (CN) 2016-07-07 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-20160193347-A1 MULTI-TARGETED UBENIMEX PRODRUG DERIVATIVE AND PREPARATION METHOD AND USE THEREOF ANPEP, DNPEP, ENPEP SMN1; SMN2 4469/4885LMNA 1905/4885KDM4E 1194/4885

“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.