SCHEMBL9922502

SCHEMBL9922502

O=C(Nc1ccc(-n2ccc3ccc(C(F)(F)F)cc3c2=O)nc1)NS(=O)(=O)C1=CCC(Cl)S1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 1/20 0.34
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 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
STAT3 P40763 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL9922495 0.88
SCHEMBL12161224 0.82 FBP1 (0.42) MAPTKDM4EALDH1A1POLB
SCHEMBL9922480 0.79 MAPT (0.34) MAPTKDM4EALDH1A1CA12CA1
SCHEMBL12177641 0.79 KCNH2 (0.35) HRH3
SCHEMBL12177317 0.74 POLB (0.35) MAPTALDH1A1CA12CA1CA2
SCHEMBL14113573 0.74
SCHEMBL9922109 0.73 P2RY12 (0.45) MAPTCA12CA1CA2CA9
SCHEMBL13638535 0.72 MAPK14 (0.36) MAPT
SCHEMBL12177438 0.72 KMT2A (0.36) ALDH1A1CA12CA1CA2CA9
SCHEMBL9922116 0.72 FBP1 (0.45) MAPTKDM4ECA12CA1CA2

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 2312/4885ALDH1A1 1379/4885

“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.