SCHEMBL3487054

SCHEMBL3487054

O=S(=O)(O)c1cc(N=Nc2ccc(S(=O)(=O)O)c3ccccc23)cc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.64
ATIC P31939 3/20 0.63
CYP1A2 P05177 2/20 0.58
SENP2 Q9HC62 7/20 0.57
SUMO2 P61956 5/20 0.57
SUMO1 P63165 5/20 0.57
SENP7 Q9BQF6 5/20 0.57
SENP1 Q9P0U3 6/20 0.55
SENP3 Q9H4L4 3/20 0.55
THRB P10828 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 2/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
APP P05067 1/20 0.51

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
SCHEMBL27752545 0.99 CTRB1 (0.63) CTRB1ATICCYP1A2SENP2SUMO2
SCHEMBL18614892 0.91 CTRB1 (0.61) CTRB1ATICCYP1A2SENP2SUMO2
SCHEMBL14413251 0.83 SUMO2 (0.60) ATICCYP1A2SENP2SUMO2SUMO1
SCHEMBL3486861 0.82 CTRB1 (0.76) CTRB1ATICCYP1A2SENP2SUMO2
SCHEMBL17676119 0.81 SENP2 (0.65) CTRB1ATICCYP1A2SENP2SUMO2
E122 SCHEMBL345295 0.79 CYP1A2 (0.78) CTRB1ATICCYP1A2SENP2SUMO2
E122 SCHEMBL110093 0.79 CYP1A2 (0.78) CTRB1ATICCYP1A2SENP2SUMO2
SCHEMBL13239164 0.79 SENP2 (0.66) CTRB1ATICCYP1A2SENP2SUMO2
SCHEMBL2810711 0.78 CTRB1 (0.74) CTRB1ATICCYP1A2SENP2SUMO2
E122 SCHEMBL4806652 0.78 CYP1A2 (0.76) CTRB1ATICCYP1A2SENP2SUMO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100047296-A1 Low-Residue Cosmetic Or Dermatological Stick Based On An Oil-In-Water Dispersion/Emulsion III HENKEL AG & CO. KGAA (DE) 2010-02-25 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-20100047296-A1 Low-Residue Cosmetic Or Dermatological Stick Based On An Oil-In-Water Dispersion/Emulsion III TYR, POLR1C, CUTA CTRB1 4384/4885ATIC 4010/4885CYP1A2 1316/4885

“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.