SCHEMBL973863

SCHEMBL973863

CS(=O)(=O)N1CCC2(CCN(c3ccc(N4CCN(C(=O)NC5[C@@H]6CC7C[C@H]5CC(O)(C7)C6)c5ccccc54)cc3)C2)C1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.78
HSD11B2 P80365 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL975151 0.88 HSD11B1 (1.00) HSD11B1HSD11B2
SCHEMBL10297353 0.88 HSD11B1 (1.00) HSD11B1HSD11B2
SCHEMBL16208179 0.88 HSD11B1 (0.60) HSD11B1USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL974888 0.86 HSD11B1 (0.84) HSD11B1HSD11B2CYP3A4CYP2C19
SCHEMBL975230 0.85 HSD11B1 (0.80) HSD11B1HSD11B2
SCHEMBL10297236 0.85 HSD11B1 (0.80) HSD11B1HSD11B2
SCHEMBL973781 0.85 HSD11B1 (0.79) HSD11B1HSD11B2
SCHEMBL973399 0.85 HSD11B1 (0.93) HSD11B1HSD11B2
SCHEMBL972582 0.84 HSD11B1 (0.78) HSD11B1HSD11B2CYP3A4CYP2C19
SCHEMBL973102 0.83 HSD11B1 (0.79) HSD11B1HSD11B2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-01-13 US claimed
US-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-01-13 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-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION BHMT, UGDH, NNMT HSD11B1 4293/4885HSD11B2 4431/4885USP2 338/4885

“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.