SCHEMBL4164080

SCHEMBL4164080

O=S(=O)(c1[c]ccc(F)c1)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MAPT P10636 2/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MITF O75030 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.43
TSHR P16473 4/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MCOLN3 Q8TDD5 2/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7301268 0.84 SMN1; SMN2 (0.50) ALDH1A1LMNAGAAHTTPOLB
SCHEMBL5146481 0.75 TSHR (0.56) USP2KDM4EMAPTALDH1A1CYP3A4
SCHEMBL4555427 0.73 ALDH1A1 (0.67) USP2MAPTALDH1A1LMNANPSR1
SCHEMBL28308929 0.73 ALDH1A1 (0.67) USP2MAPTALDH1A1LMNANPSR1
SCHEMBL31684030 0.73 ALDH1A1 (0.67) USP2MAPTALDH1A1LMNANPSR1
SCHEMBL6003121 0.73 TSHR (0.53) USP2KDM4EMAPTALDH1A1CYP3A4
SCHEMBL427963 0.72 ALDH1A1 (0.49) USP2KDM4EMAPTALDH1A1CYP3A4
SCHEMBL7096080 0.72 USP2 (0.80) USP2KDM4EMAPTALDH1A1LMNA
SCHEMBL4555876 0.72 USP2 (0.61) USP2MAPTALDH1A1CYP3A4LMNA
SCHEMBL4554939 0.72 USP2 (0.80) USP2KDM4EMAPTALDH1A1LMNA

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 USP2 4261/4885KDM4E 2959/4885MAPT 4695/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R USP2 4261/4885KDM4E 2959/4885MAPT 4695/4885

“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.