SCHEMBL3579171

SCHEMBL3579171

COc1ccccc1S(=O)(=O)C1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.36
CCR5 P51681 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
TP53 P04637 1/20 0.34
P2RX7 Q99572 1/20 0.34
KCNJ1 P48048 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 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
SCHEMBL3597678 0.92 PLA2G4A (0.37) MAPK1ALDH1A1CCR5SIGMAR1KCNJ1
SCHEMBL3588822 0.90 BCHE (0.36) MAPK1ALDH1A1CCR5SIGMAR1KCNJ1
SCHEMBL3596271 0.89 ACHE (0.38)
SCHEMBL3596275 0.89 ACHE (0.38)
SCHEMBL3595997 0.89 HTR2A (0.45) MAPK1SIGMAR1
SCHEMBL3603278 0.88 BCHE (0.35) MAPK1ALDH1A1CCR5
SCHEMBL3599159 0.88 ACHE (0.37) MAPK1SIGMAR1PDK1PDK2PDK3
SCHEMBL3587915 0.87 MAPK1 (0.41) MAPK1ALDH1A1CCR5SIGMAR1TP53
SCHEMBL13254233 0.87 ACHE (0.36) MAPK1ALDH1A1
SCHEMBL3593605 0.85 KCNJ1 (0.44) MAPK1ALDH1A1KCNJ1

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
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 MAPK1 703/4885ALDH1A1 4118/4885CCR5 958/4885

“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.