SCHEMBL5046442

SCHEMBL5046442

O=C(Nc1cccc(S(=O)(=O)NCc2ccccc2)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
HSD17B10 Q99714 4/20 0.51
NPSR1 Q6W5P4 4/20 0.51
MAPK1 P28482 3/20 0.51
TSHR P16473 3/20 0.51
USP2 O75604 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
KDM4E B2RXH2 11/20 0.50
ALDH1A1 P00352 6/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
HPGD P15428 4/20 0.49
THRB P10828 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 4/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 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
SCHEMBL5048795 0.95 ABL1 (0.47) HSD17B10NPSR1MAPK1TSHRUSP2
SCHEMBL5049764 0.93 MAPK1 (0.46) HSD17B10NPSR1MAPK1TSHRUSP2
SCHEMBL5049501 0.92 MAPK1 (0.60) HSD17B10MAPK1MAPTKDM4EALDH1A1
SCHEMBL5049472 0.90 HSD17B10 (0.51) HSD17B10NPSR1MAPK1TSHRUSP2
SCHEMBL5046777 0.90 HSD17B10 (0.49) HSD17B10NPSR1MAPK1TSHRUSP2
SCHEMBL5049364 0.90 HSD17B10 (0.54) HSD17B10NPSR1MAPK1TSHRUSP2
SCHEMBL5047035 0.90 HSD17B10 (0.46) HSD17B10NPSR1MAPK1TSHRUSP2
SCHEMBL5049978 0.89 HSD17B10 (0.50) HSD17B10NPSR1MAPK1TSHRUSP2
SCHEMBL5044957 0.89 KDM4E (0.49) HSD17B10NPSR1MAPK1TSHRUSP2
SCHEMBL5049504 0.88 HSD17B10 (0.49) HSD17B10NPSR1MAPK1TSHRUSP2

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 4257/4885NPSR1 178/4885MAPK1 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.