SCHEMBL13829003

SCHEMBL13829003

C[C@@H](OS(=O)(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
CXCR2 P25025 2/20 0.38
CXCR1 P25024 1/20 0.37
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
PMP22 Q01453 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TACR1 P25103 1/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34

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
SCHEMBL28419506 1.00 HCAR2 (0.39) HCAR2CXCR2CXCR1KMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL28355285 0.98 HCAR2 (0.38) HCAR2CXCR2CXCR1KMT2AALDH1A1
SCHEMBL8258576 0.85 CXCR2 (0.39) CXCR2CXCR1KMT2AALDH1A1NPSR1
SCHEMBL13829065 0.85 CXCR2 (0.39) CXCR2CXCR1KMT2AALDH1A1NPSR1
SCHEMBL29856072 0.80 IDO1 (0.40) KMT2AALDH1A1MAPTNPSR1MAPK1
Ammonia Solution, Strong SCHEMBL29119872 0.78 IDO1 (0.39) KMT2AALDH1A1MAPTNPSR1LMNA
SCHEMBL7688541 0.78 ALDH1A1 (0.42) HCAR2KMT2AALDH1A1MAPTNPSR1
SCHEMBL8241125 0.78 ALDH1A1 (0.42) HCAR2KMT2AALDH1A1MAPTNPSR1
SCHEMBL8115614 0.78 ALDH1A1 (0.42) HCAR2KMT2AALDH1A1MAPTNPSR1
SCHEMBL12800458 0.77 NPSR1 (0.39) CXCR2KMT2AALDH1A1MAPTNPSR1

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-20120289523-A1 PYRROLO [3,2-E] [1,2,4] TRIAZOLO [1,5-A] PYRIMIDINES DERIVATIVES AS INHIBITORS OF MICROGLIA ACTIVATION BTG INTERNATIONAL LIMITED (GB) 2012-11-15 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-20120289523-A1 PYRROLO [3,2-E] [1,2,4] TRIAZOLO [1,5-A] PYRIMIDINES DERIVATIVES AS INHIBITORS OF MICROGLIA ACTIVATION CX3CR1, CSF1R, PSEN1 HCAR2 269/4885CXCR2 16/4885CXCR1 22/4885

“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.