SCHEMBL105392

SCHEMBL105392

CC(C)CCS(=O)(=O)N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 3/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
LIPE Q05469 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MCL1 Q07820 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL17574701 0.88 POLB (0.37) POLBNPSR1L3MBTL1TSHRHPGD
SCHEMBL17574697 0.86 TSHR (0.37) POLBNPSR1L3MBTL1TSHRHPGD
SCHEMBL21959076 0.82 LIPE (0.33) POLBNPSR1L3MBTL1LIPE
SCHEMBL21207380 0.82 LMNA (0.47) POLBNPSR1L3MBTL1TSHRKMT2A
SCHEMBL22941384 0.80 CYP2D6 (0.38) POLBNPSR1L3MBTL1LIPESMN1; SMN2
SCHEMBL12139988 0.77 EPHX2 (0.49) POLBNPSR1L3MBTL1TSHRHPGD
SCHEMBL12847618 0.76 EPHX2 (0.51) POLBNPSR1L3MBTL1TSHRHPGD
SCHEMBL13058141 0.76 EPHX2 (0.51) POLBNPSR1L3MBTL1TSHRHPGD
SCHEMBL26724832 0.75 CYP1A2 (0.49) POLBTSHRKMT2AALDH1A1MAPK1
SCHEMBL26733039 0.75 KMT2A (0.49) POLBTSHRKMT2AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 POLB 3674/4885NPSR1 550/4885L3MBTL1 4139/4885

“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.