SCHEMBL4166290

SCHEMBL4166290

Cc1ccc(F)cc1S(=O)(=O)N1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
KDM4E B2RXH2 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.63
MAPT P10636 3/20 0.63
HTT P42858 2/20 0.63
TP53 P04637 2/20 0.63
MAPK1 P28482 2/20 0.63
POLB P06746 2/20 0.59
CNR2 P34972 2/20 0.59
ATM Q13315 1/20 0.59
NPSR1 Q6W5P4 2/20 0.59
CNR1 P21554 1/20 0.59
TNF P01375 1/20 0.59
RAB9A P51151 1/20 0.59
NOD1 Q9Y239 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
TSHR P16473 2/20 0.58
LMNA P02545 1/20 0.56

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
SCHEMBL2081742 0.84 ALDH1A1 (0.73) ALDH1A1KDM4ESMN1; SMN2MAPTHTT
SCHEMBL2080681 0.84 TP53 (0.65) ALDH1A1SMN1; SMN2MAPTTP53CNR2
SCHEMBL15872007 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2MAPTHTTTP53
SCHEMBL4556004 0.83 PKM (0.71) ALDH1A1KDM4EMAPTHTTTP53
SCHEMBL4555634 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2MAPTHTTTP53
SCHEMBL8512706 0.81 TNF (0.54) ALDH1A1KDM4ESMN1; SMN2MAPTHTT
SCHEMBL23326420 0.81 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTTTP53MAPK1
SCHEMBL24124809 0.81 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTTTP53MAPK1
SCHEMBL15052643 0.81 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTTTP53MAPK1
SCHEMBL29451365 0.81 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTTTP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 US disclosed
CN-1950375-A Glucocorticoid receptor modulator compounds and methods- utility LIGAND PHARM INC (US) 2007-04-18 CN disclosed
EP-1718653-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY Ligand Pharmaceuticals Inc. (US) 2006-11-08 EP disclosed
WO-2005082909-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-09 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 (2 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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R ALDH1A1 1465/4885KDM4E 2959/4885SMN1; SMN2 4602/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R ALDH1A1 1465/4885KDM4E 2959/4885SMN1; SMN2 4602/4885

“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.