SCHEMBL5048798

SCHEMBL5048798

Cc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(S(C)(=O)=O)c4)c3n2)ccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.51
MAPK1 P28482 4/20 0.51
MAPT P10636 3/20 0.51
TSHR P16473 3/20 0.51
USP2 O75604 1/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
THRB P10828 2/20 0.49
KDM4E B2RXH2 9/20 0.49
ALDH1A1 P00352 6/20 0.48
POLB P06746 2/20 0.48
NR4A1 P22736 1/20 0.48
HPGD P15428 5/20 0.47
CASP1 P29466 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
CASP7 P55210 1/20 0.45

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
SCHEMBL5048804 0.93 HSD17B10 (0.51) HSD17B10MAPK1MAPTTSHRUSP2
SCHEMBL5049469 0.92 HSD17B10 (0.49) HSD17B10MAPK1MAPTTSHRUSP2
SCHEMBL5048324 0.91 THRB (0.49) HSD17B10MAPK1MAPTTSHRUSP2
SCHEMBL5049479 0.91 MAPK1 (0.58) HSD17B10MAPK1MAPTNPSR1THRB
SCHEMBL5045122 0.89 ALDH1A1 (0.48) HSD17B10MAPK1MAPTTSHRUSP2
SCHEMBL5049990 0.89 HSD17B10 (0.51) HSD17B10MAPK1MAPTTSHRUSP2
SCHEMBL5048295 0.88 THRB (0.54) HSD17B10MAPK1MAPTTSHRUSP2
SCHEMBL5049493 0.88 HSD17B10 (0.54) HSD17B10MAPK1MAPTTSHRUSP2
SCHEMBL5047644 0.88 THRB (0.47) HSD17B10MAPK1MAPTTSHRUSP2
SCHEMBL5046207 0.88 MAPK1 (0.54) HSD17B10MAPK1MAPTTSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US claimed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US claimed
US-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 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-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 HSD17B10 4257/4885MAPK1 1732/4885MAPT 844/4885

“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.