SCHEMBL3761960

SCHEMBL3761960

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4cccc(CC(=O)O)c4)c3)c2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AOC3 Q16853 6/20 0.35
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
PIK3CA P42336 4/20 0.35
PIK3CD O00329 3/20 0.35
PIK3CB P42338 3/20 0.35
PIK3CG P48736 3/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
JMJD6 Q6NYC1 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRIA1 P42261 1/20 0.33

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
SCHEMBL3758928 0.92 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2AOC3PIK3CA
SCHEMBL3755286 0.92 AOC3 (0.38) BUB1ALDH1A1MAPTSMN1; SMN2AOC3
SCHEMBL3760227 0.91 LRRK2 (0.40) BUB1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3767336 0.91 POLB (0.35) BUB1ALDH1A1MAPTSMN1; SMN2AOC3
SCHEMBL16161607 0.90 KDM1A (0.40) BUB1ALDH1A1MAPTKDM1AHDAC1
SCHEMBL3765767 0.90 PIK3CA (0.36) BUB1ALDH1A1MAPTSMN1; SMN2AOC3
SCHEMBL3759987 0.90 BUB1 (0.36) BUB1AOC3KDM1AHDAC1PIK3CA
SCHEMBL3762759 0.90 PRKDC (0.40) BUB1ALDH1A1MAPTKDM1AHDAC1
SCHEMBL3759263 0.90 AOC3 (0.42) BUB1AOC3
SCHEMBL3760623 0.89 PSMB8 (0.41) BUB1PIK3CAPIK3CDPIK3CBPIK3CG

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-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 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 (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-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA BUB1 565/4885ALDH1A1 3061/4885MAPT 790/4885

“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.