SCHEMBL21935233

SCHEMBL21935233

O=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)c1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.53
PGR P06401 2/20 0.51
BRD4 O60885 1/20 0.50
KMT2A Q03164 1/20 0.49
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN5 P54829 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48
PIM1 P11309 1/20 0.48
LTK P29376 1/20 0.48
KDR P35968 1/20 0.48
MAPK14 Q16539 1/20 0.48
LRRK2 Q5S007 1/20 0.48
AURKB Q96GD4 1/20 0.48
ALK Q9UM73 1/20 0.48
KIF11 P52732 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL3017181 0.79 KMT2A (0.72) KMT2AHPGDMAPTHSD17B10
SCHEMBL4881954 0.79 HPGD (0.72) HSD17B2PGRKMT2APKMHPGD
SCHEMBL14433749 0.77 HSD17B2 (0.66) HSD17B2PGRBRD4PTPN2PTPN1
SCHEMBL1489068 0.75 PGR (0.65) HSD17B2PGRBRD4KMT2APTPN2
SCHEMBL12018123 0.73 KIF11 (0.56) KIF11HPGD
SCHEMBL1403074 0.73 PGR (0.75) HSD17B2PGRBRD4KMT2APTPN2
SCHEMBL30565215 0.73 PGR (0.75) HSD17B2PGRBRD4KMT2APTPN2
SCHEMBL21935051 0.72 SIRT2 (0.43) HSD17B2PGRKIF11
SCHEMBL22441735 0.72 PGR (0.72) HSD17B2PGRBRD4KDRPKM
SCHEMBL1859217 0.72 PGR (0.68) HSD17B2PGRBRD4KMT2APTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 US disclosed
EP-3596067-B1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-06-07 EP disclosed
US-20200131157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2020-04-30 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 (2 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-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC1 HSD17B2 1897/4885PGR 3054/4885BRD4 799/4885
US-20200131157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC3 HSD17B2 1918/4885PGR 2993/4885BRD4 850/4885

“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.