SCHEMBL9922480

SCHEMBL9922480

O=C(Nc1ccc(N2C(=O)Cc3ccc(C(F)(F)F)cc3C2=O)nc1)NS(=O)(=O)C1=CCC(Cl)S1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.34
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CA12 O43570 8/20 0.33
CA1 P00915 8/20 0.33
CA2 P00918 8/20 0.33
CA4 P22748 8/20 0.33
CA7 P43166 8/20 0.33
CA9 Q16790 8/20 0.33
TRPV1 Q8NER1 3/20 0.33
POLB P06746 1/20 0.32
STAT3 P40763 1/20 0.32
GAA P10253 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31

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
SCHEMBL12177206 0.85
SCHEMBL12160911 0.83 APP (0.41) MAPTKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL9922211 0.82 MAPT (0.35) MAPTKDM4ESMN1; SMN2ALDH1A1CA12
SCHEMBL12177230 0.80 HRH3 (0.34) HRH3
SCHEMBL9922185 0.79 KMT2A (0.41) MAPTKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL9922502 0.79 MAPT (0.35) MAPTKDM4ESMN1; SMN2ALDH1A1CA12
SCHEMBL9922478 0.77
SCHEMBL13638639 0.77
SCHEMBL9922826 0.74 FBP1 (0.43) MAPTCA12CA1CA2CA9
SCHEMBL9922822 0.73 FBP1 (0.44) MAPTCA12CA1CA2CA9

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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 MAPT 4832/4885KDM4E 2312/4885SMN1; SMN2 3093/4885

“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.