SCHEMBL4474868

SCHEMBL4474868

CCCCN1C(=O)C(Nc2ccc(N3CCOCC3)cc2)=C(c2ccccc2)S1(=O)=O.CCCCN1C(=O)C(Nc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)=C(c2ccccc2)S1(O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.40
PIK3CA P42336 3/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 1/20 0.39
NAMPT P43490 1/20 0.38
TMEM97 Q5BJF2 4/20 0.37
SIGMAR1 Q99720 4/20 0.37
ESR2 Q92731 2/20 0.37
JAK2 O60674 3/20 0.35
JAK3 P52333 3/20 0.35
PTK2 Q05397 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TGFBR1 P36897 1/20 0.35
JAK1 P23458 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
SCHEMBL4474865 0.97 MTOR (0.42) MTORPIK3CANR1H2NR1H3NAMPT
SCHEMBL5613807 0.94 MTOR (0.36) MTORPIK3CANR1H2NR1H3NAMPT
SCHEMBL5613809 0.91 MTOR (0.38) MTORPIK3CANR1H2NR1H3NAMPT
SCHEMBL3489517 0.90 ESR2 (0.45) MTORPIK3CANR1H2NAMPTTMEM97
SCHEMBL3489514 0.89 ESR2 (0.46) MTORPIK3CANR1H2NR1H3NAMPT
SCHEMBL3486731 0.81 TMPRSS2 (0.38) NAMPTTMEM97SIGMAR1JAK2ALDH1A1
SCHEMBL3486729 0.80 TMPRSS2 (0.38) NR1H2NR1H3NAMPTTMEM97SIGMAR1
SCHEMBL3488135 0.79 ACVR1 (0.42) NR1H2NR1H3NAMPTTMEM97SIGMAR1
SCHEMBL3487580 0.79 NR1H2 (0.54) NR1H2NR1H3JAK2ALDH1A1MAPT
SCHEMBL3488550 0.78 NPC1 (0.38) NAMPTJAK2ALDH1A1

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 MTOR 1667/4885PIK3CA 1380/4885NR1H2 1/4885

“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.