SCHEMBL4486723

SCHEMBL4486723

CCOC(=O)c1sc2ccc(NC3=C(c4ccccc4)S(=O)(=O)N(CCOC)C3=O)cc2c1C.COCCN1C(=O)C(Nc2nc(N3CCOCC3)n[nH]2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.36
HPGD P15428 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DHODH Q02127 2/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
MTOR P42345 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL4486724 0.97 BTK (0.36) BTKHPGDKDM4EALDH1A1LMNA
SCHEMBL3486976 0.85 ADORA2B (0.40) ALDH1A1LMNADHODHMAPT
SCHEMBL3486954 0.83 CYP1A2 (0.43) HPGDKDM4EALDH1A1LMNAHSD17B10
SCHEMBL3486973 0.79 ADORA2B (0.39) BTKKDM4EALDH1A1DHODHMAPT
SCHEMBL3487200 0.78 DHODH (0.40) ALDH1A1LMNAHSD17B10DHODH
SCHEMBL3487199 0.71 DHODH (0.39) KDM4EALDH1A1LMNAHSD17B10DHODH
SCHEMBL3488372 0.71 NR1H2 (0.53) ALDH1A1HSD17B10GAADGAT1MAPT
SCHEMBL4466726 0.65 MAPT (0.36) BTKKDM4ELMNAHSD17B10NPSR1
SCHEMBL3488042 0.63 NR1H2 (0.42) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL3487585 0.63 SMN1; SMN2 (0.36) HPGDKDM4EALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 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-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 BTK 3265/4885HPGD 1210/4885KDM4E 4498/4885

“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.