SCHEMBL671045

SCHEMBL671045

Cc1ccc(S(=O)(=O)c2cc3ccccc3n2CCCCBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
USP2 O75604 1/20 0.49
ESR1 P03372 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CASP1 P29466 1/20 0.49
CYP2C19 P33261 1/20 0.49
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
ALDH1A1 P00352 9/20 0.38
KDM4E B2RXH2 8/20 0.38
GAA P10253 7/20 0.38
MAPT P10636 5/20 0.38
GLA P06280 3/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL29159487 0.77 USP2 (0.49) MEN1KMT2AUSP2ESR1CYP1A2
SCHEMBL11155518 0.74 TP53 (0.52) MEN1KMT2AUSP2ESR1CYP1A2
SCHEMBL27852380 0.73 MEN1 (0.43) MEN1KMT2AUSP2ESR1CYP1A2
SCHEMBL4939569 0.69 ALDH1A1 (0.60) KMT2AALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL28794518 0.66 MAPT (0.42) MEN1KMT2AUSP2ESR1CYP1A2
SCHEMBL1764275 0.66 CA12 (0.49) KMT2AALDH1A1NPSR1NAMPT
SCHEMBL11812516 0.65 TP53 (0.49) MEN1KMT2AUSP2ESR1CYP1A2
SCHEMBL7116279 0.65 NOD1 (0.57) MEN1KMT2AUSP2ESR1CYP1A2
SCHEMBL30647189 0.65 NOD1 (0.57) MEN1KMT2AUSP2ESR1CYP1A2
SCHEMBL11659560 0.64 ALDH1A1 (0.50) MEN1KMT2AUSP2ESR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034895-B2 Composition and methods for treating glioblastoma UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2015-05-19 US disclosed
US-9034895-B2 Composition and methods for treating glioblastoma UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2015-05-19 US disclosed
US-9034895-B2 Composition and methods for treating glioblastoma UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2015-05-19 US disclosed
EP-2606032-B1 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMAS UNIV WASHINGTON CT COMMERCIALI (US) 2015-01-07 EP disclosed
EP-2606032-B1 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMAS UNIV WASHINGTON CT COMMERCIALI (US) 2015-01-07 EP disclosed
US-20130197026-A1 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA Unversity of Washington Through its Center for Commercialization (US) 2013-08-01 US disclosed
US-20130197026-A1 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA Unversity of Washington Through its Center for Commercialization (US) 2013-08-01 US disclosed
US-20130197026-A1 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA Unversity of Washington Through its Center for Commercialization (US) 2013-08-01 US disclosed
EP-2606032-A2 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA University Of Washington Through Its Center For Commercialization (US) 2013-06-26 EP disclosed
WO-2012024670-A2 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2012-02-23 WO disclosed
WO-2012024670-A2 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2012-02-23 WO 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-20130197026-A1 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA MGMT, NEFM, TP53 MEN1 1555/4885KMT2A 2723/4885USP2 1719/4885

“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.