SCHEMBL2425844

SCHEMBL2425844

Nc1cc(COc2nsnc2N2CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
GAA P10253 1/20 0.43
GCK P35557 1/20 0.43
CNR1 P21554 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GBA1 P04062 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2385310 0.80 TRPV1 (0.44) HSD17B10
Trifluoroacetic Acid SCHEMBL2384922 0.78 TRPV1 (0.42) HSD17B10HTT
SCHEMBL5572898 0.75 ALDH1A1 (0.48) GAAPOLBALDH1A1ALOX15TSHR
SCHEMBL2384253 0.75 ALDH1A1 (0.49) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL2382754 0.71 TRPV1 (0.45) HSD17B10HTT
SCHEMBL2425530 0.70 ME2 (0.42) GAACNR1KDM4EPOLBALDH1A1
SCHEMBL2382942 0.70 TRPV1 (0.47) KDM4EPOLBALDH1A1
SCHEMBL2384714 0.70 TRPV1 (0.44) HSD17B10HTT
SCHEMBL5572976 0.69 TRPV1 (0.44) HSD17B10HTT
SCHEMBL2382772 0.69 TRPV1 (0.49) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US claimed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR HSD11B1 4117/4885ABL1 207/4885BCR 1719/4885

“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.