SCHEMBL6899124

SCHEMBL6899124

O=C1c2ccsc2CC[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.39
NOS2 P35228 1/20 0.39
USP2 O75604 1/20 0.38
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
PIM1 P11309 1/20 0.35
PDGFRA P16234 1/20 0.35
PRKACA P17612 1/20 0.35
LTK P29376 1/20 0.35
GRK5 P34947 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
FLT3 P36888 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35

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
SCHEMBL3523755 0.80 NOS3 (0.37) HTR2CNOS2USP2CES1KMT2A
SCHEMBL4805805 0.77 HTR2C (0.39) HTR2CNOS2USP2PLK4CHEK1
SCHEMBL914478 0.77 NOS2 (0.43) HTR2CNOS2USP2CES1HPGD
SCHEMBL6101157 0.77 HTR2C (0.39) HTR2CNOS2USP2CES1HPGD
SCHEMBL6100478 0.73 HTR2C (0.47) HTR2CNOS2KMT2A
SCHEMBL9385024 0.73 HTR2C (0.47) HTR2C
SCHEMBL6287208 0.73 KMT2A (0.44) HTR2CKMT2AHPGD
SCHEMBL6341940 0.72 HTR2C (0.39) HTR2CNOS2USP2
SCHEMBL1747061 0.71
SCHEMBL6196420 0.70 HTR2C (0.45) HTR2CNOS2

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
EP-2509950-B1 5-Amino-4-hydroxypentoyl amides JANSSEN R & D IRELAND (IE) 2015-02-25 EP disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
WO-2011070131-A1 5-AMINO- 4-HYDROXYPENTOYL AMIDES TIBOTEC PHARMACEUTICALS (IE) 2011-06-16 WO 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-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES C1S, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-10 HTR2C 2154/4885NOS2 3589/4885USP2 3939/4885

“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.