SCHEMBL3666978

SCHEMBL3666978

O=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ENPP2 Q13822 8/20 0.52
▸ CD40 P25942 1/20 0.50
▸ CD40LG P29965 1/20 0.50
▸ CYP2C9 P11712 3/20 0.47
▸ PRMT1 Q99873 2/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ DNASE1L3 Q13609 1/20 0.44
▸ CASP6 P55212 2/20 0.44
▸ NSD2 O96028 1/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ PTPN5 P54829 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ PRMT3 O60678 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
SCHEMBL105571 0.98 CYP1A2 (0.51) CYP1A2ALDH1A1HIF1AMEN1THRB
SCHEMBL3215642 0.88 CYP1A2 (0.62) CYP1A2ALDH1A1HIF1AMEN1THRB
SCHEMBL3302890 0.87 CYP1A2 (0.51) CYP1A2ALDH1A1HIF1AMEN1THRB
Water SCHEMBL22500691 0.87 CYP1A2 (0.60) CYP1A2ALDH1A1HIF1AMEN1THRB
SCHEMBL1882514 0.87 CYP1A2 (0.60) CYP1A2ALDH1A1HIF1AMEN1THRB
SCHEMBL2527187 0.87 CYP1A2 (0.60) CYP1A2ALDH1A1HIF1AMEN1THRB
Water SCHEMBL7943499 0.85 CYP1A2 (0.59) CYP1A2ALDH1A1HIF1AMEN1THRB
SCHEMBL5921946 0.83 MPL (0.50) CYP1A2ALDH1A1HIF1AMEN1THRB
SCHEMBL4280353 0.82 ALDH1A1 (0.54) CYP1A2ALDH1A1HIF1AMEN1THRB
SCHEMBL3203561 0.82 ALDH1A1 (0.54) CYP1A2ALDH1A1HIF1AMEN1THRB

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-20130028942-A1 AEROSOLIZED NITRITE AND NITRIC OXIDE-DONATING COMPOUNDS AND USES THEREOF AIRES PHARMACEUTICALS, INC. (US) 2013-01-31 — — US disclosed
EP-2237788-A2 AEROSOLIZED NITRITE AND NITRIC OXIDE - DONATING COMPOUNDS AND USES THEREOF Aires Pharmaceuticals, Inc. (US) 2010-10-13 — — EP disclosed
US-20090196930-A1 AEROSOLIZED NITRITE AND NITRIC OXIDE -DONATING COMPOUNDS AND USES THEREOF AIRES PHARMACEUTICALS, INC. (US) 2009-08-06 — — US disclosed
WO-2009086470-A2 AEROSOLIZED NITRITE AND NITRIC OXIDE - DONATING COMPOUNDS AND USES THEREOF AIRES PHARMACEUTICALS, INC. (US) 2009-07-09 — — 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 (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-20130028942-A1 AEROSOLIZED NITRITE AND NITRIC OXIDE-DONATING COMPOUNDS AND USES THEREOF NOS1, NOS2, NOS3 CYP1A2 596/4885ALDH1A1 351/4885HIF1A 928/4885
US-20090196930-A1 AEROSOLIZED NITRITE AND NITRIC OXIDE -DONATING COMPOUNDS AND USES THEREOF NOS1, NOS2, NOS3 CYP1A2 596/4885ALDH1A1 351/4885HIF1A 928/4885

“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.

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