SCHEMBL22277296

SCHEMBL22277296

CCOC(=O)c1csc([C@H]2CCCN2C)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48
CASP8 Q14790 1/20 0.48
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.45
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
POLB P06746 3/20 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
SCHEMBL20713807 1.00 SMN1; SMN2 (0.53) SMN1; SMN2CASP3CASP7CASP8RAB9A
SCHEMBL12789591 0.82 NR1H2 (0.59) SMN1; SMN2CASP3CASP7CASP8RAB9A
SCHEMBL8219203 0.82 NR1H2 (0.59) SMN1; SMN2CASP3CASP7CASP8RAB9A
SCHEMBL12215951 0.82 NR1H2 (0.59) SMN1; SMN2CASP3CASP7CASP8RAB9A
SCHEMBL20713770 0.81 SMN1; SMN2 (0.44) SMN1; SMN2CASP3CASP7CASP8RAB9A
SCHEMBL20713804 0.80 SMN1; SMN2 (0.44) SMN1; SMN2CASP3CASP7CASP8RAB9A
SCHEMBL2774105 0.80 RAB9A (0.50) SMN1; SMN2CASP3CASP7CASP8RAB9A
SCHEMBL1245930 0.79 SMN1; SMN2 (0.60) SMN1; SMN2CASP3CASP7CASP8RAB9A
SCHEMBL2142696 0.79 SMN1; SMN2 (0.56) SMN1; SMN2CASP3CASP7CASP8RAB9A
SCHEMBL23975518 0.79 NR1H2 (0.58) SMN1; SMN2CASP3CASP7CASP8RAB9A

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-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-09 US disclosed
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2020-07-30 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-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof KLKB1, KLK1, KLK5 SMN1; SMN2 4555/4885CASP3 1616/4885CASP7 1222/4885
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 SMN1; SMN2 4555/4885CASP3 1616/4885CASP7 1222/4885

“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.