SCHEMBL5329535

SCHEMBL5329535

C=CCN(CC(=O)O)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
HSP90AA1 P07900 1/20 0.45
RORC P51449 6/20 0.41
CNR2 P34972 2/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KEAP1 Q14145 1/20 0.38
NR1I2 O75469 1/20 0.38
RORA P35398 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
RORB Q92753 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
ESR1 P03372 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38

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
SCHEMBL5180539 0.87 HSP90AA1 (0.49) RAB9AHSP90AA1RORCCNR2POLB
SCHEMBL5281753 0.81 CNR2 (0.55) HSP90AA1RORCCNR2ALDH1A1POLB
SCHEMBL5295877 0.80 CNR2 (0.54) HSP90AA1RORCCNR2NR1I2RORA
SCHEMBL5324937 0.78 RAB9A (0.63) RAB9AALDH1A1SMN1; SMN2KEAP1ESR1
SCHEMBL5279670 0.77 RORC (0.53) RAB9AHSP90AA1RORCCNR2SMN1; SMN2
SCHEMBL31519008 0.75 HSP90AA1 (0.55) HSP90AA1RORCCNR2ALDH1A1SMN1; SMN2
SCHEMBL27783120 0.75 RAB9A (0.44) RAB9AALDH1A1POLB
SCHEMBL11871750 0.75 RAB9A (0.47) RAB9AALDH1A1POLB
SCHEMBL10597184 0.75 HSP90AA1 (0.58) HSP90AA1RORCCNR2NR1I2RORA
SCHEMBL31165765 0.74 CNR2 (0.51) RORCCNR2NR1I2RORANR1H2

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 RAB9A 20/4885HSP90AA1 1124/4885RORC 3389/4885

“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.