SCHEMBL1471083

SCHEMBL1471083

CCCCCC(O)c1ccc(CC(NS(=O)(=O)c2ccccn2)c2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.38
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
ADRB3 P13945 2/20 0.38
TBXA2R P21731 1/20 0.38
TBXAS1 P24557 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
PTGIR P43119 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LPAR3 Q9UBY5 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGAV P06756 2/20 0.37
ITGB1 P05556 1/20 0.37

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
SCHEMBL1471086 0.81 PTGER2 (0.46)
SCHEMBL12981329 0.75 PTGER2 (0.46) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL12981628 0.72 PTGER2 (0.46)
SCHEMBL9765323 0.71 TBXA2R (0.52) ALDH1A1SMN1; SMN2TSHRTBXA2RTBXAS1
SCHEMBL12981690 0.71 PTGER2 (0.47) ITGB1
SCHEMBL9510545 0.70 ALDH1A1 (0.51) ALDH1A1ADRB2ADRB1ADRB3TBXA2R
SCHEMBL12749312 0.70 PTGER2 (0.58)
SCHEMBL17472663 0.69 PTGER2 (0.56)
SCHEMBL9765258 0.69 ALDH1A1 (0.57) ALDH1A1TSHRTBXA2RTBXAS1FAAH
SCHEMBL18521453 0.67 TSHR (0.68) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142471-A1 SULFONAMIDES ALLERGAN, INC. 2007-06-21 US claimed
US-7915316-B2 Sulfonamides ALLERGAN, INC (US) 2011-03-29 US disclosed
EP-1917238-A2 SULFONAMIDES Allergan, Inc. (US) 2008-05-07 EP disclosed
US-20070142471-A1 SULFONAMIDES ALLERGAN, INC. 2007-06-21 US disclosed
WO-2007024860-A2 SULFONAMIDES ALLERGAN, INC. (US) 2007-03-01 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-20070142471-A1 SULFONAMIDES CRYZ, QDPR, GLRX3 ALDH1A1 2130/4885SMN1; SMN2 1166/4885TSHR 395/4885

“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.