SCHEMBL2178930

SCHEMBL2178930

CC(C)CSc1cc[nH]c(=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
TSHR P16473 1/20 0.37
MAOA P21397 3/20 0.36
MAOB P27338 2/20 0.36
LMNA P02545 2/20 0.33
SCN8A Q9UQD0 2/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NSD2 O96028 1/20 0.33
ABL1 P00519 1/20 0.33
PPARG P37231 1/20 0.33
RIN1 Q13671 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAP1LC3B Q9GZQ8 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
SCHEMBL2609936 0.74
SCHEMBL5237062 0.72 GPR84 (0.44) ABL1RIN1SMN1; SMN2KDM4ECYP2C9
SCHEMBL16885240 0.68 MEN1 (0.46) NOTUMTSHRLMNAPOLBL3MBTL1
SCHEMBL27943066 0.66 GPR84 (0.40) NOTUMSCN8ASCN10APOLBL3MBTL1
SCHEMBL10842715 0.65 MAOA (0.44) MAOAMAOBPOLBL3MBTL1RAB9A
SCHEMBL21961226 0.64 ABL1 (0.36) NOTUMSCN8ASCN10AL3MBTL1NSD2
SCHEMBL18739045 0.64 MAOA (0.47) MAOAMAOBPOLBMEN1MAPT
SCHEMBL94583 0.63 MAOA (0.68) MAOAMAOBMAPTRAB9ASMN1; SMN2
Fluoride SCHEMBL1336700 0.63 MAOA (0.68) MAOAMAOBMAPTRAB9ASMN1; SMN2
SCHEMBL3232468 0.63 MAOA (0.42) TSHRMAOAMAOBL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US disclosed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 WO disclosed
US-4950679-A Alkanesulfonate derivatives and their use as insecticides, acaricides or nematicides NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1990-08-21 US disclosed
US-4791127-A Alkanesulfonate derivatives and their use as insecticides, acaricides or nematicides NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1988-12-13 US disclosed
EP-0245944-A2 Alkanesulfonate derivatives and their use as insecticides, acaricides or nematicides NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1987-11-19 EP disclosed
EP-0220857-A1 Alkanesulfonate derivatives and their use as insecticides, acaricides or nematicides Nippon Kayaku Kabushiki Kaisha (JP) 1987-05-06 EP 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-20070135465-A1 Fab I Inhibitor and Process for Preparing Same TFPI, TFPI2, FCGRT NOTUM 1096/4885TSHR 3182/4885MAOA 1100/4885

“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.