SCHEMBL3486729

SCHEMBL3486729

CCCCN1C(=O)C(Nc2ccc3c(c2)CCN(C(=O)O)C3)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 2/20 0.38
ACVR1 Q04771 2/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ATM Q13315 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
NAMPT P43490 5/20 0.36
JAK2 O60674 2/20 0.36
FLT3 P36888 2/20 0.36
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL3488135 0.94 ACVR1 (0.42) TMPRSS2ACVR1NR1H2NR1H3NPC1
SCHEMBL3487963 0.92 RAB9A (0.39) TMPRSS2ACVR1NPC1RAB9AATM
SCHEMBL3486731 0.92 TMPRSS2 (0.38) TMPRSS2ACVR1NPC1RAB9AATM
SCHEMBL3489514 0.89 ESR2 (0.46) NR1H2NR1H3NPC1RAB9ATMEM97
SCHEMBL3488550 0.84 NPC1 (0.38) TMPRSS2ACVR1NPC1RAB9AATM
SCHEMBL4474865 0.82 MTOR (0.42) NR1H2NR1H3TMEM97SIGMAR1NAMPT
SCHEMBL3487895 0.81 BPTF (0.42) ACVR1NR1H2NR1H3CA12CA9
SCHEMBL5613809 0.77 MTOR (0.38) NR1H2NR1H3TMEM97SIGMAR1NAMPT
SCHEMBL3487448 0.76 CA12 (0.46) NR1H2NR1H3RAB9ACA12CA9
SCHEMBL5613807 0.75 MTOR (0.36) NR1H2NR1H3TMEM97SIGMAR1NAMPT

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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US disclosed
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
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073363-A1 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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR NR1H2, NR1H3, NR1I2 TMPRSS2 2021/4885ACVR1 1049/4885NR1H2 1/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 TMPRSS2 2073/4885ACVR1 1182/4885NR1H2 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.