SCHEMBL974412

SCHEMBL974412

O=S(=O)(C1CC1)N1CCN(c2ccc(N3CCNc4ccccc43)nc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.51
CYP17A1 P05093 3/20 0.40
CYP21A2 P08686 3/20 0.40
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP19A1 P11511 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
PRMT5 O14744 1/20 0.37
USP30 Q70CQ3 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL974634 0.86 KDM4E (0.47) HSD11B1CYP17A1CYP21A2POLBTHRB
SCHEMBL1159359 0.80 MKNK1 (0.39) HSD11B1MKNK1MKNK2
SCHEMBL974017 0.80 SMO (0.38) HSD11B1POLBMKNK1MKNK2
SCHEMBL3663716 0.78 HSD11B1 (0.69) HSD11B1POLBTHRB
SCHEMBL1160741 0.78 HSD11B1 (0.46) HSD11B1MKNK1MKNK2
SCHEMBL16215953 0.78 HSD11B1 (0.64) HSD11B1
SCHEMBL16239652 0.77 HSD11B1 (0.46) HSD11B1MKNK1MKNK2
Hydrochloric Acid SCHEMBL8512587 0.76 HSD11B1 (0.45) HSD11B1MKNK1MKNK2
SCHEMBL972838 0.76 PTPN11 (0.39) HSD11B1MKNK1MKNK2
SCHEMBL8509465 0.75 PTPN11 (0.42) HSD11B1CYP3A4MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459548-B1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-19 EP disclosed
EP-2238126-B1 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2014-11-05 EP disclosed
US-8536173-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11-B-hydroxysteroid dehydrogenase type I SANOFI (FR) 2013-09-17 US 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
US-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-28 US disclosed
EP-2459548-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-06 EP disclosed
WO-2011012800-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-02-03 WO disclosed
US-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-01-13 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 (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-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION BHMT, UGDH, NNMT HSD11B1 4293/4885CYP17A1 4791/4885CYP21A2 4653/4885
US-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NR2C2, CBR3, NR0B2 HSD11B1 1172/4885CYP17A1 1132/4885CYP21A2 608/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT HSD11B1 2913/4885CYP17A1 3257/4885CYP21A2 3185/4885

“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.