SCHEMBL55489

SCHEMBL55489

CC(C)(C)C1CCC(c2cc3c(c(C4CCC(C(C)(C)C)CC4)c2S(N)(=O)=O)C(=O)c2cc(S(N)(=O)=O)ccc2C3=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
HK1 P19367 1/20 0.35
PAX8 Q06710 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PARG Q86W56 4/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LRRK2 Q5S007 2/20 0.31
FTO Q9C0B1 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL27804433 0.85 TDP2 (0.38) TDP2NSD2HK1PAX8GAA
SCHEMBL27171469 0.81 PKM (0.40) TDP2NSD2HK1PAX8GAA
SCHEMBL27804432 0.78 PARG (0.33) TDP2NSD2HK1PAX8GAA
SCHEMBL27171484 0.73 PKM (0.39) TDP2NSD2HK1PAX8GAA
SCHEMBL55488 0.72 TDP2 (0.40) TDP2NSD2HK1PAX8GAA
SCHEMBL10775524 0.66 TDP2 (0.67) TDP2NSD2HK1PAX8GAA
SCHEMBL7339146 0.66 TDP2 (0.67) TDP2NSD2HK1PAX8GAA
SCHEMBL27171477 0.66 PKM (0.38) GAAMAPTPOLBPKMMEN1
SCHEMBL27171459 0.66 POLB (0.36) TDP2NSD2HK1PAX8GAA
SCHEMBL27171478 0.65 TDP2 (0.38) TDP2NSD2HK1PAX8GAA

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-9446021-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof DOGWOOD PHARMACEUTICALS, INC. (US) 2016-09-20 US disclosed
EP-2152258-B1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF AVALON PHARMACEUTICALS (US) 2016-05-04 EP disclosed
US-20150313873-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof DOGWOOD PHARMACEUTICALS, INC. 2015-11-05 US disclosed
US-9120754-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof DOGWOOD PHARMACEUTICALS, INC. (US) 2015-09-01 US disclosed
US-20120129837-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof ALLERGAN SALES, LLC 2012-05-24 US disclosed
US-8129519-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof ALLERGAN SALES, LLC 2012-03-06 US disclosed
WO-2010082912-A1 DERIVATIVES OF MULTI-RING AROMATIC COMPOUNDS AND USES AS ANTI-TUMOR AGENTS AVALON PHARMACEUTICALS (US) 2010-07-22 WO disclosed
US-20100137354-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF ALLERGAN SALES, LLC 2010-06-03 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 (3 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-20120129837-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof WNT1, CTNND1, CTNNB1 TDP2 3475/4885NSD2 381/4885HK1 1185/4885
US-20150313873-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof WNT1, CTNND1, CTNNB1 TDP2 3475/4885NSD2 381/4885HK1 1185/4885
US-20100137354-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF WNT1, CTNND1, CTNNB1 TDP2 3475/4885NSD2 381/4885HK1 1185/4885

“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.