SCHEMBL1999900

SCHEMBL1999900

Cc1cccc(C)c1OC(=O)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HIF1A Q16665 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
TPSAB1 Q15661 1/20 0.43

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
SCHEMBL5200736 0.95 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL3160634 0.84 CA1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL29123845 0.81 TDP1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL3959646 0.79 CA1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL21601421 0.78 L3MBTL1 (0.61) ALDH1A1SMN1; SMN2CYP2D6CYP2C19CA1
SCHEMBL27698153 0.77 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL10792928 0.76 SMN1; SMN2 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27437838 0.76 TDP1 (0.62) MEN1KMT2ACA1CA2TDP1
SCHEMBL637737 0.76 GAA (0.52) ALDH1A1KMT2ACA1CA2TDP1
SCHEMBL8634314 0.76 TDP1 (0.55) ALDH1A1MEN1KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 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-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 ALDH1A1 2568/4885MEN1 4332/4885KMT2A 2880/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 ALDH1A1 2568/4885MEN1 4332/4885KMT2A 2880/4885

“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.