SCHEMBL5881969

SCHEMBL5881969

CCCCS(=O)(=O)NC(=O)c1ccc2cc(C)n(Cc3ccc(Cl)cc3Cl)c2c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.71
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC2 Q92769 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
NLRP1 Q9C000 1/20 0.39

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
SCHEMBL5882208 0.97 PPARG (0.75) PPARGHDAC1HDAC8HDAC6HDAC2
SCHEMBL5882185 0.90 PPARG (0.67) PPARGHDAC1HDAC8HDAC6LMNA
SCHEMBL1160177 0.85 PPARG (0.95) PPARGHDAC1HDAC8HDAC6HDAC2
SCHEMBL5882012 0.84 PPARG (0.64) PPARGHDAC1HDAC8HDAC6HDAC2
SCHEMBL1178512 0.84 PPARG (0.82) PPARGHDAC1HDAC8HDAC6HDAC2
SCHEMBL1178271 0.84 PPARG (0.79) PPARGLMNA
SCHEMBL6300036 0.83 PPARG (0.79) PPARGHDAC1HDAC8HDAC6HDAC2
Atx08-001 SCHEMBL682052 0.83 PPARG (1.00) PPARGHDAC1HDAC8HDAC6HDAC2
Atx08-001 SCHEMBL29691565 0.83 PPARG (1.00) PPARGHDAC1HDAC8HDAC6HDAC2
Atx08-001 SCHEMBL29368164 0.83 PPARG (1.00) PPARGHDAC1HDAC8HDAC6HDAC2

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 4239/4885HDAC1 1156/4885HDAC8 1437/4885

“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.