SCHEMBL17080362

SCHEMBL17080362

COC(=O)[C@H](CS)NC(=O)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 2/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL12984042 0.86 ALDH1A1 (0.49) ALDH1A1POLBGAALMNANPC1
SCHEMBL12308190 0.85 KMT2A (0.53) ALDH1A1GAAKDM4ERAB9AMEN1
SCHEMBL3422770 0.84 LMNA (0.54) ALDH1A1GAALMNANPC1SMN1; SMN2
SCHEMBL3422768 0.84 LMNA (0.54) ALDH1A1GAALMNANPC1SMN1; SMN2
SCHEMBL30059085 0.84 KDM4E (0.46) ALDH1A1POLBGAAKDM4ERAB9A
SCHEMBL28613992 0.83 KMT2A (0.60) ALDH1A1POLBGAALMNANPC1
SCHEMBL2327455 0.83 CTSD (0.56) ALDH1A1POLBGAALMNANPC1
SCHEMBL30600058 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4EKMT2ATDP1
SCHEMBL29104354 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4EKMT2ATDP1
SCHEMBL12308265 0.83 FNTA (0.47) ALDH1A1SMN1; SMN2KDM4EKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170015644-A1 TRICYCLIC PRODRUGS GLACTONE PHARMA DEVELOPMENT AB (SE) 2017-01-19 US disclosed
US-20170015644-A1 TRICYCLIC PRODRUGS GLACTONE PHARMA DEVELOPMENT AB (SE) 2017-01-19 US disclosed
EP-3114114-A1 TRICYCLIC PRODRUGS Glactone Pharma Development AB (SE) 2017-01-11 EP disclosed
WO-2015132396-A1 TRICYCLIC PRODRUGS GLACTONE PHARMA DEVELOPMENT AB (SE) 2015-09-11 WO disclosed
WO-2015132396-A1 TRICYCLIC PRODRUGS GLACTONE PHARMA DEVELOPMENT AB (SE) 2015-09-11 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-20170015644-A1 TRICYCLIC PRODRUGS PGLS, TK1, GGPS1 ALDH1A1 448/4885POLB 1176/4885GAA 286/4885

“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.