SCHEMBL908477

SCHEMBL908477

CC(=O)c1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.53
KMT2A Q03164 5/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
ACHE P22303 2/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3378024 0.78 KMT2A (0.53) PKMKMT2ARAB9AMEN1POLB
SCHEMBL19754000 0.78 MAPK1 (0.50) KMT2APOLBGAAALDH1A1SMN1; SMN2
SCHEMBL8762582 0.76 KMT2A (0.63) PKMKMT2ARAB9AMEN1POLB
SCHEMBL17059408 0.76 ALDH1A1 (0.49) KMT2ARAB9APOLBGAAATM
SCHEMBL3381147 0.74 ACHE (0.61) PKMKMT2ARAB9AMEN1GAA
SCHEMBL19742516 0.73 L3MBTL1 (0.47) KMT2AMEN1POLBGAAALDH1A1
SCHEMBL30279891 0.73 L3MBTL1 (0.47) KMT2AMEN1POLBGAAALDH1A1
SCHEMBL30539159 0.72 ALDH1A1 (0.60) KMT2AMEN1GAAALDH1A1SMN1; SMN2
SCHEMBL836536 0.72 ALDH1A1 (0.60) KMT2AMEN1GAAALDH1A1SMN1; SMN2
SCHEMBL3656114 0.71 MAPK1 (0.57) PKMKMT2AMEN1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816051-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2014-08-26 US disclosed
US-20110182855-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION POLYTHERICS LIMITED (GB) 2011-07-28 US disclosed
EP-2277550-A1 Conjugated biological molecules and their preparation Polytherics Limited (GB) 2011-01-26 EP disclosed
US-20060210526-A1 polyoxyethylene glycol-protein conjugate linked via linking group ABZENA (CAMBRIDGE) LIMITED (GB) 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 (2 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-20110182855-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION F13B, ZYX, F13A1 PKM 2623/4885KMT2A 4253/4885RAB9A 1758/4885
US-20060210526-A1 polyoxyethylene glycol-protein conjugate linked via linking group F13A1, F13B, SSB PKM 3131/4885KMT2A 4148/4885RAB9A 2519/4885

“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.