SCHEMBL1856515

SCHEMBL1856515

COc1ccc(N(C(=O)O)S(=O)(=O)c2cccc(Br)c2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 3/20 0.42
ALDH1A1 P00352 3/20 0.42
PTGER1 P34995 1/20 0.42
KMT2A Q03164 4/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
MEN1 O00255 3/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
HTT P42858 1/20 0.40
PGR P06401 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1858551 0.85 MAPT (0.41) MAPTTP53THRBMAPK1ALDH1A1
SCHEMBL4007168 0.81 PTGDR2 (0.43) MAPTTP53THRBMAPK1ALDH1A1
SCHEMBL1856336 0.81 KMT2A (0.48) MAPTTP53THRBALDH1A1KMT2A
SCHEMBL1860344 0.80 KMT2A (0.49) MAPK1ALDH1A1KMT2AMEN1LMNA
SCHEMBL4014515 0.80 PTGDR2 (0.41) MAPTTP53THRBMAPK1ALDH1A1
SCHEMBL6799209 0.79 MAPT (0.52) MAPTTP53THRBALDH1A1KMT2A
SCHEMBL5643243 0.72 ALDH1A1 (0.43) MAPTMAPK1ALDH1A1PTGER1KMT2A
SCHEMBL1863734 0.71 HSD11B1 (0.47) MAPK1ALDH1A1KMT2AMEN1LMNA
SCHEMBL31267400 0.70 ABCB1 (0.50) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL18546039 0.70 TP53 (0.69) MAPTTP53THRBALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS MAPT 4342/4885TP53 143/4885THRB 1416/4885

“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.