SCHEMBL3863697

SCHEMBL3863697

CS(=O)(=O)NCCCCNC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
EPHX2 P34913 2/20 0.41
FABP4 P15090 3/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
ADRA1A P35348 1/20 0.36
PTGES O14684 1/20 0.36
GRIA1 P42261 3/20 0.35
EPHX1 P07099 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL4773600 0.98 EPHX2 (0.43) POLBMEN1KMT2AALDH1A1EPHX2
SCHEMBL146344 0.96 ALDH1A1 (0.46) POLBMEN1KMT2AALDH1A1EPHX2
SCHEMBL145975 0.86 KDM4D (0.39) POLBKMT2AALDH1A1KDM4EPTGES
SCHEMBL861001 0.83 KDM4E (0.62) POLBMEN1KMT2AALDH1A1EPHX2
SCHEMBL27160291 0.82 EPHX2 (0.50) POLBMEN1KMT2AALDH1A1EPHX2
SCHEMBL27160294 0.81 EPHX2 (0.52) POLBMEN1KMT2AALDH1A1EPHX2
SCHEMBL12090531 0.81 POLB (0.52) POLBALDH1A1GRIA1EPHX1CA1
SCHEMBL7416799 0.78 FABP4 (0.58) POLBALDH1A1FABP4ADRA1A
SCHEMBL14739816 0.78 GRIA1 (0.52) POLBALDH1A1EPHX2KDM4EGRIA1
SCHEMBL14739265 0.78 GRIA1 (0.52) POLBALDH1A1EPHX2KDM4EGRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856254-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-01-02 US disclosed
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2016-09-29 US disclosed
EP-1673087-B1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2015-05-13 EP disclosed
US-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2015-01-22 US disclosed
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
EP-1673087-A4 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-04-08 EP disclosed
US-7091214-B2 Aryl substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-08-15 US disclosed
EP-1673087-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-06-28 EP disclosed
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US disclosed
WO-2005032484-A9 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2006-05-18 WO disclosed
EP-1590348-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-11-02 EP disclosed
WO-2005032484-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-14 WO disclosed
US-20040147543-A1 Aryl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-29 US disclosed
WO-2004058759-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-15 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 (4 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-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 POLB 1356/4885MEN1 3720/4885KMT2A 2789/4885
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 POLB 1356/4885MEN1 3720/4885KMT2A 2789/4885
US-20040147543-A1 Aryl substituted imidazoquinolines IL2, IFNG, IRF3 POLB 1647/4885MEN1 4521/4885KMT2A 2761/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 POLB 1647/4885MEN1 4521/4885KMT2A 2761/4885

“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.