SCHEMBL5200541

SCHEMBL5200541

O=C(N[C@@H]1CCCc2c1ccc(CO)c2[N+](=O)[O-])C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 2/20 0.38
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
TAS1R2 Q8TE23 4/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
KCNH2 Q12809 2/20 0.35
HTR2A P28223 1/20 0.35
ADRA2A P08913 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5200548 1.00 HSD17B2 (0.38) HSD17B2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL5950841 0.86 BDKRB1 (0.38) HSD17B2HTR1ADRD2KCNH2HTR2A
SCHEMBL3537170 0.86 TAS1R3 (0.37) HSD17B2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL5950839 0.86 BDKRB1 (0.38) HSD17B2HTR1ADRD2KCNH2HTR2A
SCHEMBL3537172 0.86 TAS1R3 (0.37) HSD17B2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL5950470 0.83 HSD17B2 (0.38) HSD17B2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL5950467 0.83 HSD17B2 (0.38) HSD17B2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL3533886 0.76 CYP1A2 (0.42) MEN1KMT2AHTR1ADRD2KCNH2
SCHEMBL3533885 0.76 CYP1A2 (0.42) MEN1KMT2AHTR1ADRD2KCNH2
SCHEMBL5507413 0.72 POLB (0.32) TAS1R3TAS1R1TAS1R2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799637-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE Amgen, Inc (US) 2007-06-27 EP disclosed
US-20060111347-A1 Substituted sulfones and methods of use AMGEN INC. (US) 2006-05-25 US disclosed
WO-2006036664-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE AMGEN INC. (US) 2006-04-06 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-20060111347-A1 Substituted sulfones and methods of use SULT2A1, STS, SULT1A1 HSD17B2 511/4885TAS1R3 2405/4885TAS1R1 2343/4885

“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.