SCHEMBL6003301

SCHEMBL6003301

O=C(O)c1cccc(NS(=O)(=O)C(F)(F)F)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.49
CA2 P00918 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TAS2R14 Q9NYV8 3/20 0.40
HSD17B10 Q99714 1/20 0.40
CA1 P00915 1/20 0.40
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39

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
SCHEMBL2732048 0.85 KMT2A (0.60) FABP4CA2MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL810 0.84 KMT2A (0.58) FABP4CA2MEN1KMT2AGAA
SCHEMBL3526139 0.83 PDK1 (0.53) CA2MEN1KMT2AGAAALDH1A1
SCHEMBL20399271 0.81 KMT2A (0.55) FABP4MEN1KMT2AALDH1A1HSD17B10
SCHEMBL1093957 0.77 KDM1A (0.62) FABP4MEN1KMT2AGAAALDH1A1
SCHEMBL14717351 0.77 FABP4 (0.54) FABP4MEN1KMT2AGAAALDH1A1
SCHEMBL855793 0.75 BRAF (0.54) FABP4
SCHEMBL29796894 0.75 BRAF (0.54) FABP4
SCHEMBL1806342 0.74 KDM4E (0.48) FABP4MEN1KMT2AALDH1A1TAS2R14
SCHEMBL14087848 0.74 FABP4 (0.47) FABP4MEN1KMT2AALDH1A1TAS2R14

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-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 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-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 FABP4 4325/4885CA2 4267/4885MEN1 4561/4885

“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.