SCHEMBL5882048

SCHEMBL5882048

CCCCCS(=O)(=O)NC(=O)c1ccc2[nH]c(C)c(Cc3ncc4ccccc4c3Br)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.38
PTPN1 P18031 1/20 0.37
GABRA5 P31644 1/20 0.36
PPARG P37231 1/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35

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
SCHEMBL5881715 0.91 MCL1 (0.42) MCL1PTPN1PPARG
SCHEMBL5882270 0.86 PPARG (0.39) MCL1PTPN1PPARGHDAC6HDAC3
SCHEMBL5882574 0.81 PTPN5 (0.50) PPARGNPC1RAB9AATMMMP3
SCHEMBL5881955 0.80 GPR84 (0.45) NPC1RAB9AATMMAPTTP53
SCHEMBL5881850 0.78 PTPN1 (0.57) MCL1PTPN1GABRA5PPARGMMP3
SCHEMBL5882152 0.78 MAPT (0.49) MCL1PTPN1PPARGNPC1MAPT
SCHEMBL5881848 0.77 PTPN1 (0.46) MCL1PTPN1GABRA5PPARGHDAC3
SCHEMBL5881846 0.77 PTPN1 (0.46) MCL1PTPN1GABRA5PPARGHDAC3
SCHEMBL5882099 0.76 PPARG (0.46) MCL1PTPN1PPARGMAPTTP53
SCHEMBL5882026 0.76 POLB (0.50) MCL1PTPN1GABRA5HDAC3HDAC1

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 MCL1 6/4885PTPN1 3024/4885GABRA5 3292/4885

“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.