SCHEMBL5882270

SCHEMBL5882270

CCCCCS(=O)(=O)NC(=O)c1ccc2[nH]c(C)c(Cc3ccc4ccccc4c3Br)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
MCL1 Q07820 7/20 0.39
PTPN1 P18031 1/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP12 P39900 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5882048 0.86 MCL1 (0.38) PPARGMCL1PTPN1MAPTTP53
SCHEMBL5881972 0.84 HDAC3 (0.46) MCL1PTPN1MAPTTP53HDAC6
SCHEMBL5882152 0.84 MAPT (0.49) PPARGMCL1PTPN1MAPTTP53
SCHEMBL6298603 0.83 PPARG (0.39) PPARGMCL1PTPN1HDAC3HDAC1
SCHEMBL5882099 0.83 PPARG (0.46) PPARGMCL1PTPN1MAPTTP53
SCHEMBL5882123 0.83 HDAC3 (0.47) MAPTTP53HDAC6HDAC3HDAC4
SCHEMBL5881578 0.81 PPARG (0.55) PPARGMCL1MAPT
SCHEMBL5881755 0.81 PTPN1 (0.48) PPARGMCL1PTPN1MAPTTP53
SCHEMBL6320284 0.81 MAPT (0.40) MCL1MAPTTP53HDAC6HDAC3
SCHEMBL5881789 0.80 PPARG (0.54) PPARGMCL1PTPN1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115647-B2 Method of inhibiting neoplastic cells with indole derivatives OSI PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20020143022-A1 Method of inhibiting neoplastic cells with indole derivatives OSI PHARMACEUTICALS, INC. 2002-10-03 US disclosed
US-6410584-B1 ANTICANCER AGENTS CELL PATHWAYS, INC. 2002-06-25 US disclosed
EP-1132087-A1 REMEDIES FOR POLYCYSTIC OVARY SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-12 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-20020143022-A1 Method of inhibiting neoplastic cells with indole derivatives IDO1, IDO2, INMT PPARG 4239/4885MCL1 6/4885PTPN1 3024/4885

“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.