SCHEMBL3668947

SCHEMBL3668947

CCCCS(=O)(=O)N1CCN(c2ccc(N3CCN(C(=O)O)c4ccccc43)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
HSD11B1 P28845 3/20 0.44
KMT2A Q03164 5/20 0.43
LMNA P02545 1/20 0.43
PLA2G1B P04054 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 1/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL9982198 0.94 KDM4E (0.52) KDM4EGLAHSD11B1KMT2ALMNA
SCHEMBL3663624 0.91 KMT2A (0.49) KDM4EGLAHSD11B1KMT2ALMNA
SCHEMBL3664321 0.88 HSD11B1 (0.44) HSD11B1KMT2ALMNAMEN1POLB
SCHEMBL3669044 0.87 HSD11B1 (0.46) KDM4EGLAHSD11B1KMT2ALMNA
SCHEMBL3662499 0.87 HSD11B1 (0.43) KDM4EGLAHSD11B1KMT2ALMNA
SCHEMBL3664917 0.86 THRB (0.45) HSD11B1KMT2ALMNAMEN1TP53
SCHEMBL975783 0.83 HSD11B1 (0.59) KDM4EHSD11B1KMT2ATSHRGAA
SCHEMBL3663342 0.83 HSD11B1 (0.42) KDM4EHSD11B1KMT2ALMNAMEN1
SCHEMBL3664994 0.82 HSD11B1 (0.46) KDM4EGLAHSD11B1KMT2ALMNA
SCHEMBL3661647 0.82 HSD11B1 (0.43) HSD11B1KMT2ALMNAMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238126-B1 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2014-11-05 EP claimed
US-8211892-B2 Tetrahydroquinoxaline urea derivatives SANOFI-AVENTIS (FR) 2012-07-03 US claimed
EP-2238126-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-10-13 EP claimed
WO-2009112691-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-17 WO claimed
EP-2238126-B1 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2014-11-05 EP disclosed
US-8530657-B2 Substituted adamantanes and their therapeutic application SANOFI (FR) 2013-09-10 US disclosed
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2012-09-27 US disclosed
US-8211892-B2 Tetrahydroquinoxaline urea derivatives SANOFI-AVENTIS (FR) 2012-07-03 US disclosed
EP-2238126-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009112691-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-17 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-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT KDM4E 1161/4885GLA 1258/4885HSD11B1 2913/4885

“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.