SCHEMBL4016972

SCHEMBL4016972

[CH2]c1cc2c(cc1I)OCO2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.37
ABCG2 Q9UNQ0 1/20 0.35
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
ATM Q13315 1/20 0.31
CMA1 P23946 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL1742802 0.82 CYP3A4 (0.44) CYP3A4ABCG2MAPTCYP1A2ALDH1A1
SCHEMBL31709528 0.82 CYP3A4 (0.44) CYP3A4ABCG2MAPTCYP1A2ALDH1A1
SCHEMBL4133359 0.73 CYP3A4 (0.38) CYP3A4ABCG2MAPTCYP1A2ALDH1A1
SCHEMBL4130159 0.73 MAPT (0.40) CYP3A4MAPTCYP1A2ALDH1A1CYP2D6
SCHEMBL23350070 0.71 CYP3A4 (0.37) CYP3A4ABCG2MAPTCYP1A2ALDH1A1
SCHEMBL1743402 0.71 CYP3A4 (0.37) CYP3A4ABCG2MAPTCYP1A2ALDH1A1
SCHEMBL31146877 0.71 MAPT (0.47) CYP3A4ABCG2MAPTALDH1A1HSD17B10
SCHEMBL1877829 0.71 CYP3A4 (0.37) CYP3A4ABCG2MAPTCYP1A2ALDH1A1
SCHEMBL9871731 0.71 MEN1 (0.40) CYP3A4ABCG2MAPTCYP1A2ALDH1A1
SCHEMBL1743405 0.71 MAPT (0.47) CYP3A4ABCG2MAPTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074126-A2 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2009-07-01 EP disclosed
US-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF WYETH (US) 2008-04-24 US disclosed
WO-2008049105-A2 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF WYETH (US) 2008-04-24 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-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 CYP3A4 4702/4885ABCG2 493/4885MAPT 2650/4885

“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.