SCHEMBL5045949

SCHEMBL5045949

O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOB P04114 2/20 0.51
MTTP P55157 2/20 0.51
MAPK1 P28482 5/20 0.49
HSD17B10 Q99714 7/20 0.48
MAPT P10636 5/20 0.48
TSHR P16473 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
USP2 O75604 2/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 8/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
IDH2 P48735 1/20 0.46
ALDH1A1 P00352 8/20 0.46
HPGD P15428 6/20 0.46
CASP1 P29466 3/20 0.46
ALOX15 P16050 2/20 0.46
CASP7 P55210 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL5045812 0.93 HSD17B10 (0.49) MAPK1HSD17B10MAPTTSHRNPSR1
SCHEMBL5047041 0.91 MAPK1 (0.61) APOBMTTPMAPK1HSD17B10MAPT
SCHEMBL5041985 0.90 HSD17B10 (0.48) APOBMTTPMAPK1HSD17B10MAPT
SCHEMBL5045122 0.89 ALDH1A1 (0.48) MAPK1HSD17B10MAPTTSHRNPSR1
SCHEMBL5046610 0.89 KDM4E (0.56) MAPK1HSD17B10MAPTTSHRNPSR1
SCHEMBL5049467 0.89 HSD17B10 (0.52) MAPK1HSD17B10MAPTTSHRNPSR1
SCHEMBL5049458 0.88 TSHR (0.48) MAPK1HSD17B10MAPTTSHRNPSR1
SCHEMBL5049364 0.88 HSD17B10 (0.54) MAPK1HSD17B10MAPTTSHRNPSR1
SCHEMBL5046190 0.87 KIF18A (0.52) MAPK1HSD17B10MAPTTSHRNPSR1
SCHEMBL5049493 0.87 HSD17B10 (0.54) MAPK1HSD17B10MAPTTSHRNPSR1

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 2 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 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 APOB 1926/4885MTTP 2837/4885MAPK1 1732/4885

“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.