SCHEMBL5778734

SCHEMBL5778734

CCCCS(=O)(=O)Nc1c[c]c2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.45
KDR P35968 2/20 0.45
AURKB Q96GD4 2/20 0.45
AR P10275 1/20 0.45
BRD4 O60885 3/20 0.44
HPGD P15428 5/20 0.42
LMNA P02545 2/20 0.42
PGAM1 P18669 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KIT P10721 2/20 0.37
PARP14 Q460N5 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36

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
SCHEMBL7159252 0.79 AR (0.57) AURKAKDRAURKBARBRD4
SCHEMBL249377 0.78 KEAP1 (0.48) AURKAKDRAURKBHPGDLMNA
SCHEMBL4650966 0.74 AR (0.66) AURKAKDRAURKBARBRD4
SCHEMBL294043 0.72 NPC1 (0.65) LMNAALDH1A1GAAMEN1KMT2A
SCHEMBL9850091 0.70 AR (0.47) AURKAKDRAURKBARBRD4
SCHEMBL251932 0.70 AR (0.60) AURKAKDRAURKBARBRD4
SCHEMBL2748552 0.70 HPGD (0.56) AURKAKDRAURKBARBRD4
SCHEMBL6978659 0.69 BRAF (0.57) AURKAKDRAURKBARBRD4
SCHEMBL4463780 0.69 TSHR (0.39) HPGDALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11210096 0.68 AR (0.58) AURKAKDRAURKBARHPGD

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-20060293297-A1 Cyanofluoropyrrolidine derviative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-28 US disclosed
EP-1627870-A1 CYANOFLUOROPYRROLIDINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-02-22 EP 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-20060293297-A1 Cyanofluoropyrrolidine derviative DPP4, DPP3, NPY4R AURKA 4419/4885KDR 1371/4885AURKB 4489/4885

“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.