SCHEMBL3661592

SCHEMBL3661592

CS(=O)(=O)N1C[C@H]2CC[C@H](C1)N2c1ccc(N2CCN(C(=O)O)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.44
SCN9A Q15858 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 1/20 0.34
MAPK10 P53779 1/20 0.34
POLB P06746 2/20 0.34
CYP2C9 P11712 1/20 0.34
PAX8 Q06710 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL9982837 1.00 HSD11B1 (0.44) HSD11B1SCN9AALDH1A1MAPTSMN1; SMN2
SCHEMBL3718470 0.84 HSD11B1 (0.49) HSD11B1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL9982702 0.84 HSD11B1 (0.49) HSD11B1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL3665259 0.82 HSD11B1 (0.46) HSD11B1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL9982643 0.82 HSD11B1 (0.46) HSD11B1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL975783 0.80 HSD11B1 (0.59) HSD11B1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL3664513 0.79 HSD11B1 (0.45) HSD11B1ALDH1A1MAPTSMN1; SMN2
SCHEMBL974757 0.78 HSD11B1 (0.76) HSD11B1
SCHEMBL3665685 0.76 HSD11B1 (0.44) HSD11B1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL3662010 0.76 HSD11B1 (0.44) HSD11B1ALDH1A1MAPTSMN1; SMN2TSHR

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
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

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 HSD11B1 2913/4885SCN9A 1966/4885ALDH1A1 936/4885

“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.